3-amino-5-(4-chlorophenyl)-N-(3-methoxyphenyl)pyrazole-1-carboxamide

C17H15ClN4O2 — CID 5309595

IUPAC3-amino-5-(4-chlorophenyl)-N-(3-methoxyphenyl)pyrazole-1-carboxamide
SMILESCOc1cccc(NC(=O)n2nc(N)cc2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H15ClN4O2/c1-24-14-4-2-3-13(9-14)20-17(23)22-15(10-16(19)21-22)11-5-7-12(18)8-6-11/h2-10H,1H3,(H2,19,21)(H,20,23)
InChIKeyXHHXTCSRECRYGN-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.87
Rot. Bonds3

About 3-amino-5-(4-chlorophenyl)-N-(3-methoxyphenyl)pyrazole-1-carboxamide

3-amino-5-(4-chlorophenyl)-N-(3-methoxyphenyl)pyrazole-1-carboxamide (PubChem CID 5309595) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 3-amino-5-(4-chlorophenyl)-N-(3-methoxyphenyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-amino-5-(4-chlorophenyl)-N-(3-methoxyphenyl)pyrazole-1-carboxamide
PubChem CID5309595
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name3-amino-5-(4-chlorophenyl)-N-(3-methoxyphenyl)pyrazole-1-carboxamide
SMILESCOc1cccc(NC(=O)n2nc(N)cc2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H15ClN4O2/c1-24-14-4-2-3-13(9-14)20-17(23)22-15(10-16(19)21-22)11-5-7-12(18)8-6-11/h2-10H,1H3,(H2,19,21)(H,20,23)
InChIKeyXHHXTCSRECRYGN-UHFFFAOYSA-N
XLogP3.87
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-chlorophenyl)-N-(3-methoxyphenyl)pyrazole-1-carboxamide?
The IUPAC name of 3-amino-5-(4-chlorophenyl)-N-(3-methoxyphenyl)pyrazole-1-carboxamide (CID 5309595) is 3-amino-5-(4-chlorophenyl)-N-(3-methoxyphenyl)pyrazole-1-carboxamide.
What is the SMILES notation for 3-amino-5-(4-chlorophenyl)-N-(3-methoxyphenyl)pyrazole-1-carboxamide?
The canonical SMILES for 3-amino-5-(4-chlorophenyl)-N-(3-methoxyphenyl)pyrazole-1-carboxamide is COc1cccc(NC(=O)n2nc(N)cc2-c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-amino-5-(4-chlorophenyl)-N-(3-methoxyphenyl)pyrazole-1-carboxamide?
The InChIKey is XHHXTCSRECRYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-24-14-4-2-3-13(9-14)20-17(23)22-15(10-16(19)21-22)11-5-7-12(18)8-6-11/h2-10H,1H3,(H2,19,21)(H,20,23).
What are the key properties of 3-amino-5-(4-chlorophenyl)-N-(3-methoxyphenyl)pyrazole-1-carboxamide?
3-amino-5-(4-chlorophenyl)-N-(3-methoxyphenyl)pyrazole-1-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-chlorophenyl)-N-(3-methoxyphenyl)pyrazole-1-carboxamide is sourced from PubChem (CID 5309595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).