2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid

C10H10ClN3O2 — CID 84727947

IUPAC2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cc2ncc(Cl)cn2n1
InChIInChI=1S/C10H10ClN3O2/c1-10(2,9(15)16)7-3-8-12-4-6(11)5-14(8)13-7/h3-5H,1-2H3,(H,15,16)
InChIKeyCHDXSYGRUNYFOV-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.74
Rot. Bonds2

About 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid

2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid (PubChem CID 84727947) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid
PubChem CID84727947
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cc2ncc(Cl)cn2n1
InChIInChI=1S/C10H10ClN3O2/c1-10(2,9(15)16)7-3-8-12-4-6(11)5-14(8)13-7/h3-5H,1-2H3,(H,15,16)
InChIKeyCHDXSYGRUNYFOV-UHFFFAOYSA-N
XLogP1.74
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic 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-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid
CID 84725727
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(6,7-dichloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 58416367
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanamine
CID 84658788
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24810834
2-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 84703019
N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 90974286
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 58416346
2-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 84806528
2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-N,N,2-trimethylpropanamide
CID 10978418
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl)methanone
CID 24810367
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 24811824
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1,8-dimethyl-3,4-dihydrocinnolin-2-yl)methanone
CID 66846297

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid (CID 84727947) is 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)c1cc2ncc(Cl)cn2n1.
What is the InChIKey of 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid?
The InChIKey is CHDXSYGRUNYFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-10(2,9(15)16)7-3-8-12-4-6(11)5-14(8)13-7/h3-5H,1-2H3,(H,15,16).
What are the key properties of 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid?
2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid has a molecular weight of 239.66 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 84727947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).