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2-Methylpyrazolo[1,5-a]pyrimidine-6-carboxylic Acid

2-Methylpyrazolo[1,5-a]pyrimidine-6-carboxylic Acid - CAS 739364-95-5

Catalog:	BB034955
Product Name:	2-Methylpyrazolo[1,5-a]pyrimidine-6-carboxylic Acid
CAS:	739364-95-5
Synonyms:	2-methyl-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid; 2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
Description:	2-Methylpyrazolo[1,5-a]pyrimidine-6-carboxylic Acid (CAS# 739364-95-5) is a reactant used in the preparation of DPP-IV inhibitors.
Molecular Weight:	177.16
Molecular Formula:	C8H7N3O2
Canonical SMILES:	CC1=NN2C=C(C=NC2=C1)C(=O)O
InChI:	InChI=1S/C8H7N3O2/c1-5-2-7-9-3-6(8(12)13)4-11(7)10-5/h2-4H,1H3,(H,12,13)
InChI Key:	YHVGUXFUOSJCFJ-UHFFFAOYSA-N
Appearance:	White to pale yellow powder
LogP:	0.73590

Publication Number	Title	Priority Date
CN-110003218-A	The preparation method of my Ge Lieting intermediate	20190326
CN-110003218-B	Preparation method of Allagliptin intermediate	20190326
TW-201927756-A	Integrating stress pathway regulator	20171102
BR-112020008839-A2	modulators of the integrated stress pathway	20171102
KR-20200096522-A	Modulators of the integrated stress pathway	20171102

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

Complexity:	221
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.053826475
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	177.053826475
Rotatable Bond Count:	1
Topological Polar Surface Area:	67.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3