2-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid

C15H12ClN3O2 — CID 82271664

IUPAC2-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid
SMILESCc1cccc(-c2cc3nc(CC(=O)O)cc(Cl)n3n2)c1
InChIInChI=1S/C15H12ClN3O2/c1-9-3-2-4-10(5-9)12-8-14-17-11(7-15(20)21)6-13(16)19(14)18-12/h2-6,8H,7H2,1H3,(H,20,21)
InChIKeyKCHVDENZPIZJPI-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.99
Rot. Bonds3

About 2-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid

2-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid (PubChem CID 82271664) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 2-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid
PubChem CID82271664
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name2-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid
SMILESCc1cccc(-c2cc3nc(CC(=O)O)cc(Cl)n3n2)c1
InChIInChI=1S/C15H12ClN3O2/c1-9-3-2-4-10(5-9)12-8-14-17-11(7-15(20)21)6-13(16)19(14)18-12/h2-6,8H,7H2,1H3,(H,20,21)
InChIKeyKCHVDENZPIZJPI-UHFFFAOYSA-N
XLogP2.99
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(7-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271662
2-(7-chloro-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271650
7-chloro-2-(3-chlorophenyl)-5-propylpyrazolo[1,5-a]pyrimidine
CID 82269954
7-chloro-2-(4-methylphenyl)-5-propylpyrazolo[1,5-a]pyrimidine
CID 82269952
7-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271539
7-chloro-2-(3-methoxyphenyl)-5-propylpyrazolo[1,5-a]pyrimidine
CID 82269959
2-[3-(3-methylphenyl)-6-oxopyridazin-1-yl]acetic acid
CID 56770636
7-chloro-5-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 82269989
2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]acetic acid
CID 61269584
1-methyl-3-(3-methylphenyl)pyrazole-5-carboxylic acid
CID 13370519
5-methyl-2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine
CID 2900694
3-[3-(3-methylphenyl)-6-oxopyridazin-1-yl]propanoic acid
CID 56770644

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid (CID 82271664) is 2-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid is Cc1cccc(-c2cc3nc(CC(=O)O)cc(Cl)n3n2)c1.
What is the InChIKey of 2-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid?
The InChIKey is KCHVDENZPIZJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-9-3-2-4-10(5-9)12-8-14-17-11(7-15(20)21)6-13(16)19(14)18-12/h2-6,8H,7H2,1H3,(H,20,21).
What are the key properties of 2-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid?
2-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid has a molecular weight of 301.73 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 82271664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).