5-amino-N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H12ClN7O — CID 58063067

IUPAC5-amino-N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1ccn2ncc(C(=O)Nc3cn[nH]c3-c3cccc(Cl)c3)c2n1
InChIInChI=1S/C16H12ClN7O/c17-10-3-1-2-9(6-10)14-12(8-19-23-14)21-16(25)11-7-20-24-5-4-13(18)22-15(11)24/h1-8H,(H2,18,22)(H,19,23)(H,21,25)
InChIKeyHCHBQMYGEZFZQS-UHFFFAOYSA-N
MW353.77 g/mol
LogP2.61
Rot. Bonds3

About 5-amino-N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-amino-N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58063067) has the molecular formula C16H12ClN7O and a molecular weight of 353.77 g/mol. Its IUPAC name is 5-amino-N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58063067
Molecular FormulaC16H12ClN7O
Molecular Weight353.77 g/mol
Exact Mass353.08
IUPAC Name5-amino-N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1ccn2ncc(C(=O)Nc3cn[nH]c3-c3cccc(Cl)c3)c2n1
InChIInChI=1S/C16H12ClN7O/c17-10-3-1-2-9(6-10)14-12(8-19-23-14)21-16(25)11-7-20-24-5-4-13(18)22-15(11)24/h1-8H,(H2,18,22)(H,19,23)(H,21,25)
InChIKeyHCHBQMYGEZFZQS-UHFFFAOYSA-N
XLogP2.61
TPSA113.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-amino-N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-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 5-amino-N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-amino-N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58063067) is 5-amino-N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-amino-N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-amino-N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1ccn2ncc(C(=O)Nc3cn[nH]c3-c3cccc(Cl)c3)c2n1.
What is the InChIKey of 5-amino-N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HCHBQMYGEZFZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN7O/c17-10-3-1-2-9(6-10)14-12(8-19-23-14)21-16(25)11-7-20-24-5-4-13(18)22-15(11)24/h1-8H,(H2,18,22)(H,19,23)(H,21,25).
What are the key properties of 5-amino-N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-amino-N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 353.77 g/mol, XLogP of 2.61, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58063067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).