3-chloro-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C13H10ClN5O — CID 2242438

IUPAC3-chloro-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1nn2cccnc2c1Cl
InChIInChI=1S/C13H10ClN5O/c14-10-11(18-19-6-2-5-16-12(10)19)13(20)17-8-9-3-1-4-15-7-9/h1-7H,8H2,(H,17,20)
InChIKeyJJVPGWZDTCTHPA-UHFFFAOYSA-N
MW287.71 g/mol
LogP1.71
Rot. Bonds3

About 3-chloro-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-chloro-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2242438) has the molecular formula C13H10ClN5O and a molecular weight of 287.71 g/mol. Its IUPAC name is 3-chloro-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2242438
Molecular FormulaC13H10ClN5O
Molecular Weight287.71 g/mol
Exact Mass287.06
IUPAC Name3-chloro-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1nn2cccnc2c1Cl
InChIInChI=1S/C13H10ClN5O/c14-10-11(18-19-6-2-5-16-12(10)19)13(20)17-8-9-3-1-4-15-7-9/h1-7H,8H2,(H,17,20)
InChIKeyJJVPGWZDTCTHPA-UHFFFAOYSA-N
XLogP1.71
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2242438) is 3-chloro-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCc1cccnc1)c1nn2cccnc2c1Cl.
What is the InChIKey of 3-chloro-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JJVPGWZDTCTHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O/c14-10-11(18-19-6-2-5-16-12(10)19)13(20)17-8-9-3-1-4-15-7-9/h1-7H,8H2,(H,17,20).
What are the key properties of 3-chloro-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 287.71 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2242438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).