1-(4-chlorophenyl)-5-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide

C17H15ClN4O2 — CID 164611704

IUPAC1-(4-chlorophenyl)-5-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(OC)nc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H15ClN4O2/c1-19-17(23)14-9-15(11-3-8-16(24-2)20-10-11)22(21-14)13-6-4-12(18)5-7-13/h3-10H,1-2H3,(H,19,23)
InChIKeyKYSMUPYKNQFMBL-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.96
Rot. Bonds4

About 1-(4-chlorophenyl)-5-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide

1-(4-chlorophenyl)-5-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide (PubChem CID 164611704) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide
PubChem CID164611704
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name1-(4-chlorophenyl)-5-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(OC)nc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H15ClN4O2/c1-19-17(23)14-9-15(11-3-8-16(24-2)20-10-11)22(21-14)13-6-4-12(18)5-7-13/h3-10H,1-2H3,(H,19,23)
InChIKeyKYSMUPYKNQFMBL-UHFFFAOYSA-N
XLogP2.96
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide (CID 164611704) is 1-(4-chlorophenyl)-5-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide is CNC(=O)c1cc(-c2ccc(OC)nc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide?
The InChIKey is KYSMUPYKNQFMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-19-17(23)14-9-15(11-3-8-16(24-2)20-10-11)22(21-14)13-6-4-12(18)5-7-13/h3-10H,1-2H3,(H,19,23).
What are the key properties of 1-(4-chlorophenyl)-5-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide?
1-(4-chlorophenyl)-5-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 164611704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).