3-(1-Methyl-5-pyrazolyl)benzoic Acid - CAS 628297-55-2

Catalog:	BB031828
Product Name:	3-(1-Methyl-5-pyrazolyl)benzoic Acid
CAS:	628297-55-2
Synonyms:	3-(2-methyl-3-pyrazolyl)benzoic acid; 3-(2-methylpyrazol-3-yl)benzoic acid

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Computed Properties

IUPAC Name:	3-(2-methylpyrazol-3-yl)benzoic acid
Description:	3-(1-Methyl-5-pyrazolyl)benzoic Acid (CAS# 628297-55-2) is a useful research chemical.
Molecular Weight:	202.21
Molecular Formula:	C11H10N2O2
Canonical SMILES:	CN1C(=CC=N1)C2=CC(=CC=C2)C(=O)O
InChI:	InChI=1S/C11H10N2O2/c1-13-10(5-6-12-13)8-3-2-4-9(7-8)11(14)15/h2-7H,1H3,(H,14,15)
InChI Key:	OBOMYSVFLSMYLV-UHFFFAOYSA-N
Boiling Point:	419.6 °C at 760 mmHg
Density:	1.24 g/cm³
LogP:	1.78530

Publication Number	Title	Priority Date
WO-2021188907-A1	Pyridinesulfonamide derivatives as trap1 modulators and uses thereof	20200320
AU-2018202150-A1	Teatrahydro-and dihydro-isoquinoline prmt5 inhibitors and uses thereof	20121221
AU-2018202150-B2	Teatrahydro-and dihydro-isoquinoline prmt5 inhibitors and uses thereof	20121221
CA-2894228-A1	Prmt5 inhibitors and uses thereof	20121221
DK-2935222-T3	PRMT5 INHIBITORS AND APPLICATIONS THEREOF	20121221

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	245
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.074227566
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	202.074227566
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4