5-amino-N-[[4-(4-methylpentylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide

C24H29N5O2 — CID 155522907

IUPAC5-amino-N-[[4-(4-methylpentylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide
SMILESCC(C)CCCNC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2N)cc1
InChIInChI=1S/C24H29N5O2/c1-17(2)7-6-14-26-23(30)19-12-10-18(11-13-19)15-27-24(31)21-16-28-29(22(21)25)20-8-4-3-5-9-20/h3-5,8-13,16-17H,6-7,14-15,25H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyFNEBPJGKFXFLMU-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.55
Rot. Bonds9

About 5-amino-N-[[4-(4-methylpentylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide

5-amino-N-[[4-(4-methylpentylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 155522907) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 5-amino-N-[[4-(4-methylpentylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[[4-(4-methylpentylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide
PubChem CID155522907
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name5-amino-N-[[4-(4-methylpentylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide
SMILESCC(C)CCCNC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2N)cc1
InChIInChI=1S/C24H29N5O2/c1-17(2)7-6-14-26-23(30)19-12-10-18(11-13-19)15-27-24(31)21-16-28-29(22(21)25)20-8-4-3-5-9-20/h3-5,8-13,16-17H,6-7,14-15,25H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyFNEBPJGKFXFLMU-UHFFFAOYSA-N
XLogP3.55
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[4-(4-methylpentylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[[4-(4-methylpentylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide (CID 155522907) is 5-amino-N-[[4-(4-methylpentylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[[4-(4-methylpentylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[[4-(4-methylpentylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide is CC(C)CCCNC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2N)cc1.
What is the InChIKey of 5-amino-N-[[4-(4-methylpentylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is FNEBPJGKFXFLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-17(2)7-6-14-26-23(30)19-12-10-18(11-13-19)15-27-24(31)21-16-28-29(22(21)25)20-8-4-3-5-9-20/h3-5,8-13,16-17H,6-7,14-15,25H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of 5-amino-N-[[4-(4-methylpentylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide?
5-amino-N-[[4-(4-methylpentylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.55, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[4-(4-methylpentylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 155522907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).