4-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoic acid

C14H9ClN4O3 — CID 5253531

IUPAC4-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2nn3cccnc3c2Cl)cc1
InChIInChI=1S/C14H9ClN4O3/c15-10-11(18-19-7-1-6-16-12(10)19)13(20)17-9-4-2-8(3-5-9)14(21)22/h1-7H,(H,17,20)(H,21,22)
InChIKeyCYZGIDDCDXMHFQ-UHFFFAOYSA-N
MW316.70 g/mol
LogP2.33
Rot. Bonds3

About 4-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoic acid

4-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoic acid (PubChem CID 5253531) has the molecular formula C14H9ClN4O3 and a molecular weight of 316.70 g/mol. Its IUPAC name is 4-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoic acid
PubChem CID5253531
Molecular FormulaC14H9ClN4O3
Molecular Weight316.70 g/mol
Exact Mass316.04
IUPAC Name4-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2nn3cccnc3c2Cl)cc1
InChIInChI=1S/C14H9ClN4O3/c15-10-11(18-19-7-1-6-16-12(10)19)13(20)17-9-4-2-8(3-5-9)14(21)22/h1-7H,(H,17,20)(H,21,22)
InChIKeyCYZGIDDCDXMHFQ-UHFFFAOYSA-N
XLogP2.33
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.70
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoic acid with MolForge

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Related Compounds

3-chloro-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 5241863
3-chloro-N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 46971732
methyl 2-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate
CID 1257692
3-chloro-N-(2-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4867160
3-chloro-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 5241864
3-chloro-N-(5-chloro-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1259509
4-(pyridine-2-carbonylamino)benzoic acid
CID 16770258
2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 21231390
4-[(3,4,5-trichloropyridine-2-carbonyl)amino]benzoic acid
CID 43238498
(4-phenylphenyl) 3-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 167907964
3-bromo-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 146145687
3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462160

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoic acid (CID 5253531) is 4-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2nn3cccnc3c2Cl)cc1.
What is the InChIKey of 4-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoic acid?
The InChIKey is CYZGIDDCDXMHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4O3/c15-10-11(18-19-7-1-6-16-12(10)19)13(20)17-9-4-2-8(3-5-9)14(21)22/h1-7H,(H,17,20)(H,21,22).
What are the key properties of 4-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoic acid?
4-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoic acid has a molecular weight of 316.70 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 5253531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).