4-butyl-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]benzamide

C25H31N3O — CID 42730573

IUPAC4-butyl-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]benzamide
SMILESCCCCc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2C)cc1
InChIInChI=1S/C25H31N3O/c1-6-7-11-19-13-15-20(16-14-19)24(29)26-23-17-22(25(3,4)5)27-28(23)21-12-9-8-10-18(21)2/h8-10,12-17H,6-7,11H2,1-5H3,(H,26,29)
InChIKeyVOSYWTCNTZOSSI-UHFFFAOYSA-N
MW389.54 g/mol
LogP6.07
Rot. Bonds6

About 4-butyl-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]benzamide

4-butyl-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]benzamide (PubChem CID 42730573) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is 4-butyl-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-butyl-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]benzamide
PubChem CID42730573
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC Name4-butyl-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]benzamide
SMILESCCCCc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2C)cc1
InChIInChI=1S/C25H31N3O/c1-6-7-11-19-13-15-20(16-14-19)24(29)26-23-17-22(25(3,4)5)27-28(23)21-12-9-8-10-18(21)2/h8-10,12-17H,6-7,11H2,1-5H3,(H,26,29)
InChIKeyVOSYWTCNTZOSSI-UHFFFAOYSA-N
XLogP6.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-butyl-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]benzamide 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

N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-4-pentylbenzamide
CID 5140232
N-[(2S)-1-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-hexylbenzamide
CID 98402824
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-4-hexylbenzamide
CID 42732625
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide
CID 42732476
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-3-chlorobenzamide
CID 42730580
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 42733389
N-[2-[[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-4-pentylbenzamide
CID 42732134
N-[2-[[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-4-hexylbenzamide
CID 4019731
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 1052142
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]propanamide
CID 770939
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 42732923
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N,2-diethylhexanamide
CID 42732474

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]benzamide?
The IUPAC name of 4-butyl-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]benzamide (CID 42730573) is 4-butyl-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for 4-butyl-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]benzamide?
The canonical SMILES for 4-butyl-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]benzamide is CCCCc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2C)cc1.
What is the InChIKey of 4-butyl-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]benzamide?
The InChIKey is VOSYWTCNTZOSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-6-7-11-19-13-15-20(16-14-19)24(29)26-23-17-22(25(3,4)5)27-28(23)21-12-9-8-10-18(21)2/h8-10,12-17H,6-7,11H2,1-5H3,(H,26,29).
What are the key properties of 4-butyl-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]benzamide?
4-butyl-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]benzamide has a molecular weight of 389.54 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 42730573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).