N-(4-imidazol-1-ylbutyl)-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide

C24H25N5O — CID 55976787

IUPACN-(4-imidazol-1-ylbutyl)-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NCCCCn3ccnc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H25N5O/c1-19-9-11-21(12-10-19)29-17-22(23(27-29)20-7-3-2-4-8-20)24(30)26-13-5-6-15-28-16-14-25-18-28/h2-4,7-12,14,16-18H,5-6,13,15H2,1H3,(H,26,30)
InChIKeyHOXFGLNXNIPWTD-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.25
Rot. Bonds8

About N-(4-imidazol-1-ylbutyl)-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide

N-(4-imidazol-1-ylbutyl)-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide (PubChem CID 55976787) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is N-(4-imidazol-1-ylbutyl)-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-imidazol-1-ylbutyl)-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
PubChem CID55976787
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC NameN-(4-imidazol-1-ylbutyl)-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NCCCCn3ccnc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H25N5O/c1-19-9-11-21(12-10-19)29-17-22(23(27-29)20-7-3-2-4-8-20)24(30)26-13-5-6-15-28-16-14-25-18-28/h2-4,7-12,14,16-18H,5-6,13,15H2,1H3,(H,26,30)
InChIKeyHOXFGLNXNIPWTD-UHFFFAOYSA-N
XLogP4.25
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 29432402
N-[2-(benzenesulfonyl)ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 60515331
N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1340356
1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 30604207
3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide
CID 24982065
N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide
CID 60606127
3-(4-methoxyphenyl)-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 18205735
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-imidazol-1-ylethyl)acetamide
CID 47014475
1-(4-methylphenyl)-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide
CID 119534696
3-(4-ethylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55965213
N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 42282105
N-(3-imidazol-1-ylpropyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 74232139

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylbutyl)-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(4-imidazol-1-ylbutyl)-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide (CID 55976787) is N-(4-imidazol-1-ylbutyl)-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-imidazol-1-ylbutyl)-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-imidazol-1-ylbutyl)-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide is Cc1ccc(-n2cc(C(=O)NCCCCn3ccnc3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(4-imidazol-1-ylbutyl)-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide?
The InChIKey is HOXFGLNXNIPWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-19-9-11-21(12-10-19)29-17-22(23(27-29)20-7-3-2-4-8-20)24(30)26-13-5-6-15-28-16-14-25-18-28/h2-4,7-12,14,16-18H,5-6,13,15H2,1H3,(H,26,30).
What are the key properties of N-(4-imidazol-1-ylbutyl)-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide?
N-(4-imidazol-1-ylbutyl)-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylbutyl)-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 55976787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).