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3-(4-chlorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid

3-(4-chlorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid - CAS 1015868-48-0

Catalog:	BB000559
Product Name:	3-(4-chlorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid
CAS:	1015868-48-0
Synonyms:	5-(4-chlorophenyl)-2-methyl-3-pyrazolecarboxylic acid; 5-(4-chlorophenyl)-2-methylpyrazole-3-carboxylic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	5-(4-chlorophenyl)-2-methylpyrazole-3-carboxylic acid
Description:	3-(4-chlorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid (CAS# 1015868-48-0) is a useful research chemical.
Molecular Weight:	236.65
Molecular Formula:	C11H9ClN2O2
Canonical SMILES:	CN1C(=CC(=N1)C2=CC=C(C=C2)Cl)C(=O)O
InChI:	InChI=1S/C11H9ClN2O2/c1-14-10(11(15)16)6-9(13-14)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,15,16)
InChI Key:	JNOADCITUCNMIN-UHFFFAOYSA-N
MDL:	MFCD08446011
LogP:	2.43870

Publication Number	Title	Priority Date
EP-3596064-B1	Tosylacetate based compounds and derivatives thereof as phgdh inhibitors	20170314
AU-2011234398-A1	Novel NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders	20100402
AU-2011234398-A2	Novel NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders	20100402
AU-2011234398-B2	Novel NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders	20100402
AU-2011234398-B8	Novel NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders	20100402

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	267
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.0352552
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	236.0352552
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4