N-[1-(4-butan-2-ylphenyl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

C25H31N3O — CID 19477580

IUPACN-[1-(4-butan-2-ylphenyl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCCC(C)c1ccc(C(CC)NC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C25H31N3O/c1-6-17(3)20-13-15-21(16-14-20)23(7-2)26-25(29)24-18(4)27-28(19(24)5)22-11-9-8-10-12-22/h8-17,23H,6-7H2,1-5H3,(H,26,29)
InChIKeyZFIJVBAYJVWWNF-UHFFFAOYSA-N
MW389.54 g/mol
LogP5.88
Rot. Bonds7

About N-[1-(4-butan-2-ylphenyl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

N-[1-(4-butan-2-ylphenyl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 19477580) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[1-(4-butan-2-ylphenyl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-butan-2-ylphenyl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID19477580
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC NameN-[1-(4-butan-2-ylphenyl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCCC(C)c1ccc(C(CC)NC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C25H31N3O/c1-6-17(3)20-13-15-21(16-14-20)23(7-2)26-25(29)24-18(4)27-28(19(24)5)22-11-9-8-10-12-22/h8-17,23H,6-7H2,1-5H3,(H,26,29)
InChIKeyZFIJVBAYJVWWNF-UHFFFAOYSA-N
XLogP5.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-butan-2-ylphenyl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 9155603
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 39911913
3,5-dimethyl-1-phenyl-N-(2-sulfanylethyl)pyrazole-4-carboxamide
CID 13170727
1,3-diphenyl-N-[(1S)-1-phenylpropyl]-5-propylpyrazole-4-carboxamide
CID 143069487
N-(3-aminobutyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119494999
3,5-dimethyl-N-(4-methylpentyl)-1-phenylpyrazole-4-carboxamide
CID 33076349
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148
2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]amino]butanoic acid
CID 119224154
N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119612944
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 7557086
3,5-dimethyl-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 112763965
N-(2-ethoxyethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 75461604

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butan-2-ylphenyl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(4-butan-2-ylphenyl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (CID 19477580) is N-[1-(4-butan-2-ylphenyl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-butan-2-ylphenyl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(4-butan-2-ylphenyl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is CCC(C)c1ccc(C(CC)NC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1.
What is the InChIKey of N-[1-(4-butan-2-ylphenyl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is ZFIJVBAYJVWWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-6-17(3)20-13-15-21(16-14-20)23(7-2)26-25(29)24-18(4)27-28(19(24)5)22-11-9-8-10-12-22/h8-17,23H,6-7H2,1-5H3,(H,26,29).
What are the key properties of N-[1-(4-butan-2-ylphenyl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
N-[1-(4-butan-2-ylphenyl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butan-2-ylphenyl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 19477580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).