5-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide;pyrazole-1-carboxamide

C28H30FN7O4 — CID 158014744

About 5-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide;pyrazole-1-carboxamide

5-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide;pyrazole-1-carboxamide (PubChem CID 158014744) has the molecular formula C28H30FN7O4 and a molecular weight of 547.59 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide;pyrazole-1-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide;pyrazole-1-carboxamide
• PubChem CID: 158014744
• Molecular Formula: C28H30FN7O4
• Molecular Weight: 547.59 g/mol
• Exact Mass: 547.23
• IUPAC Name: 5-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide;pyrazole-1-carboxamide
• SMILES: CC(C)C(=O)Nc1ccc(O)c(-c2cc(C3CC3)n(C(=O)NCc3ccc(F)cc3)n2)c1.NC(=O)n1cccn1
• InChI: InChI=1S/C24H25FN4O3.C4H5N3O/c1-14(2)23(31)27-18-9-10-22(30)19(11-18)20-12-21(16-5-6-16)29(28-20)24(32)26-13-15-3-7-17(25)8-4-15;5-4(8)7-3-1-2-6-7/h3-4,7-12,14,16,30H,5-6,13H2,1-2H3,(H,26,32)(H,27,31);1-3H,(H2,5,8)
• InChIKey: FFHXOQHRLXLJDS-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 157.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.59
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide;pyrazole-1-carboxamide?

The IUPAC name of 5-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide;pyrazole-1-carboxamide (CID 158014744) is 5-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide;pyrazole-1-carboxamide.

What is the SMILES notation for 5-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide;pyrazole-1-carboxamide?

The canonical SMILES for 5-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide;pyrazole-1-carboxamide is CC(C)C(=O)Nc1ccc(O)c(-c2cc(C3CC3)n(C(=O)NCc3ccc(F)cc3)n2)c1.NC(=O)n1cccn1.

What is the InChIKey of 5-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide;pyrazole-1-carboxamide?

The InChIKey is FFHXOQHRLXLJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3.C4H5N3O/c1-14(2)23(31)27-18-9-10-22(30)19(11-18)20-12-21(16-5-6-16)29(28-20)24(32)26-13-15-3-7-17(25)8-4-15;5-4(8)7-3-1-2-6-7/h3-4,7-12,14,16,30H,5-6,13H2,1-2H3,(H,26,32)(H,27,31);1-3H,(H2,5,8).

What are the key properties of 5-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide;pyrazole-1-carboxamide?

5-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide;pyrazole-1-carboxamide has a molecular weight of 547.59 g/mol, XLogP of 4.43, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide;pyrazole-1-carboxamide is sourced from PubChem (CID 158014744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).