2-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine

C14H13ClN4 — CID 82272264

IUPAC2-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine
SMILESNCCc1c(-c2cccc(Cl)c2)nn2cccnc12
InChIInChI=1S/C14H13ClN4/c15-11-4-1-3-10(9-11)13-12(5-6-16)14-17-7-2-8-19(14)18-13/h1-4,7-9H,5-6,16H2
InChIKeyUBZJBWRWSSQIDR-UHFFFAOYSA-N
MW272.74 g/mol
LogP2.55
Rot. Bonds3

About 2-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine

2-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine (PubChem CID 82272264) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine
PubChem CID82272264
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name2-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine
SMILESNCCc1c(-c2cccc(Cl)c2)nn2cccnc12
InChIInChI=1S/C14H13ClN4/c15-11-4-1-3-10(9-11)13-12(5-6-16)14-17-7-2-8-19(14)18-13/h1-4,7-9H,5-6,16H2
InChIKeyUBZJBWRWSSQIDR-UHFFFAOYSA-N
XLogP2.55
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine 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-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 82271864
[3-(3-chlorophenyl)-2-pyridinyl]methanamine
CID 82106044
2-[2-(3-chlorophenyl)-1H-imidazol-5-yl]ethanamine
CID 14827778
N,N-dimethyl-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 19898797
2-[2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile
CID 82272140
[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine
CID 82272012
2-[2-(3-chlorophenyl)phenyl]ethanamine;hydrochloride
CID 164885899
2-[1-(3-chlorophenyl)imidazol-2-yl]ethanamine
CID 82286818
2-[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine
CID 95475392
4-(2-aminoethyl)-5-(3-chlorophenyl)-1,2-dihydropyrazol-3-one
CID 4715329
5-(3-chlorophenyl)-3-methylimidazol-4-amine
CID 53275817
2-[3-(3-chlorophenyl)-4-fluorophenyl]ethanamine
CID 115046585

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine?
The IUPAC name of 2-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine (CID 82272264) is 2-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine.
What is the SMILES notation for 2-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine?
The canonical SMILES for 2-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine is NCCc1c(-c2cccc(Cl)c2)nn2cccnc12.
What is the InChIKey of 2-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine?
The InChIKey is UBZJBWRWSSQIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c15-11-4-1-3-10(9-11)13-12(5-6-16)14-17-7-2-8-19(14)18-13/h1-4,7-9H,5-6,16H2.
What are the key properties of 2-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine?
2-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine has a molecular weight of 272.74 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine is sourced from PubChem (CID 82272264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).