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trans-2-(1-Methyl-4-pyrazolyl)cyclopropanecarboxylic Acid

trans-2-(1-Methyl-4-pyrazolyl)cyclopropanecarboxylic Acid - CAS 1807940-87-9

Catalog:	BB013760
Product Name:	trans-2-(1-Methyl-4-pyrazolyl)cyclopropanecarboxylic Acid
CAS:	1807940-87-9
Synonyms:	(1R,2R)-2-(1-methyl-4-pyrazolyl)-1-cyclopropanecarboxylic acid; (1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylic acid
Description:	trans-2-(1-Methyl-4-pyrazolyl)cyclopropanecarboxylic Acid (CAS# 1807940-87-9) is a useful research chemical.
Molecular Weight:	166.18
Molecular Formula:	C8H10N2O2
Canonical SMILES:	CN1C=C(C=N1)C2CC2C(=O)O
InChI:	InChI=1S/C8H10N2O2/c1-10-4-5(3-9-10)6-2-7(6)8(11)12/h3-4,6-7H,2H2,1H3,(H,11,12)/t6-,7+/m0/s1
InChI Key:	BLAROOKLCXZXMV-NKWVEPMBSA-N

Publication Number	Title	Priority Date
WO-2021004535-A1	Cinnolines as inhibitors of hpk 1	20190711
AU-2018300043-A1	Bicyclic ketone compounds and methods of use thereof	20170714
CN-110914271-A	Bicyclic ketone compounds and methods of use thereof	20170714
EP-3652178-A1	Bicyclic ketone compounds and methods of use thereof	20170714
KR-20200030558-A	Bicyclic ketone compounds and methods of use	20170714

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Related Functional Groups

Carbonyl Compounds

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	207
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	166.074227566
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	166.074227566
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1