5-[(6-chloro-3-pyridinyl)amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide

C16H15ClN6O2 — CID 71765105

IUPAC5-[(6-chloro-3-pyridinyl)amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCc2ccc(O)cc2)n[nH]c1Nc1ccc(Cl)nc1
InChIInChI=1S/C16H15ClN6O2/c17-12-6-3-10(8-19-12)21-16-13(14(18)25)15(22-23-16)20-7-9-1-4-11(24)5-2-9/h1-6,8,24H,7H2,(H2,18,25)(H3,20,21,22,23)
InChIKeyLMVFIJTTXMIKMU-UHFFFAOYSA-N
MW358.79 g/mol
LogP2.62
Rot. Bonds6

About 5-[(6-chloro-3-pyridinyl)amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide

5-[(6-chloro-3-pyridinyl)amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide (PubChem CID 71765105) has the molecular formula C16H15ClN6O2 and a molecular weight of 358.79 g/mol. Its IUPAC name is 5-[(6-chloro-3-pyridinyl)amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(6-chloro-3-pyridinyl)amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
PubChem CID71765105
Molecular FormulaC16H15ClN6O2
Molecular Weight358.79 g/mol
Exact Mass358.09
IUPAC Name5-[(6-chloro-3-pyridinyl)amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCc2ccc(O)cc2)n[nH]c1Nc1ccc(Cl)nc1
InChIInChI=1S/C16H15ClN6O2/c17-12-6-3-10(8-19-12)21-16-13(14(18)25)15(22-23-16)20-7-9-1-4-11(24)5-2-9/h1-6,8,24H,7H2,(H2,18,25)(H3,20,21,22,23)
InChIKeyLMVFIJTTXMIKMU-UHFFFAOYSA-N
XLogP2.62
TPSA128.95 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 52.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[(6-chloro-3-pyridinyl)amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-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-[(6-chloro-3-pyridinyl)amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(6-chloro-3-pyridinyl)amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide (CID 71765105) is 5-[(6-chloro-3-pyridinyl)amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(6-chloro-3-pyridinyl)amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(6-chloro-3-pyridinyl)amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide is NC(=O)c1c(NCc2ccc(O)cc2)n[nH]c1Nc1ccc(Cl)nc1.
What is the InChIKey of 5-[(6-chloro-3-pyridinyl)amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The InChIKey is LMVFIJTTXMIKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O2/c17-12-6-3-10(8-19-12)21-16-13(14(18)25)15(22-23-16)20-7-9-1-4-11(24)5-2-9/h1-6,8,24H,7H2,(H2,18,25)(H3,20,21,22,23).
What are the key properties of 5-[(6-chloro-3-pyridinyl)amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide?
5-[(6-chloro-3-pyridinyl)amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide has a molecular weight of 358.79 g/mol, XLogP of 2.62, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-3-pyridinyl)amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71765105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).