7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride

C12H9ClN4O2 — CID 70572667

IUPAC7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnn2c(-c3cccnc3)ccnc12
InChIInChI=1S/C12H8N4O2.ClH/c17-12(18)9-7-15-16-10(3-5-14-11(9)16)8-2-1-4-13-6-8;/h1-7H,(H,17,18);1H
InChIKeySSFJJPBJMZXCMW-UHFFFAOYSA-N
MW276.68 g/mol
LogP1.91
Rot. Bonds2

About 7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride

7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride (PubChem CID 70572667) has the molecular formula C12H9ClN4O2 and a molecular weight of 276.68 g/mol. Its IUPAC name is 7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride
PubChem CID70572667
Molecular FormulaC12H9ClN4O2
Molecular Weight276.68 g/mol
Exact Mass276.04
IUPAC Name7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnn2c(-c3cccnc3)ccnc12
InChIInChI=1S/C12H8N4O2.ClH/c17-12(18)9-7-15-16-10(3-5-14-11(9)16)8-2-1-4-13-6-8;/h1-7H,(H,17,18);1H
InChIKeySSFJJPBJMZXCMW-UHFFFAOYSA-N
XLogP1.91
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
7-[3-(Trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2777692
CU-CPT-8m
CID 15042086
2-(4-Chlorophenyl)-7-methylpyrazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 5308312
7-Phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 6487614
1-(pyridin-2-yl)-1H-pyrazole-4-carboxylic acid
CID 8027170
(E)-3-[1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-2-enoic acid
CID 44577780
1-(7-Methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 641891
1-(7-Methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 708078
Methyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 673655
5-Phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 804063
5-Phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 804064

Frequently Asked Questions

What is the IUPAC name of 7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride (CID 70572667) is 7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)c1cnn2c(-c3cccnc3)ccnc12.
What is the InChIKey of 7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride?
The InChIKey is SSFJJPBJMZXCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2.ClH/c17-12(18)9-7-15-16-10(3-5-14-11(9)16)8-2-1-4-13-6-8;/h1-7H,(H,17,18);1H.
What are the key properties of 7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride?
7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride has a molecular weight of 276.68 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 70572667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).