2-tert-butyl-3-[2-(cyclopropylmethyl)pyrazol-3-yl]-5-(4-fluorophenyl)benzamide

C24H26FN3O — CID 174932650

IUPAC2-tert-butyl-3-[2-(cyclopropylmethyl)pyrazol-3-yl]-5-(4-fluorophenyl)benzamide
SMILESCC(C)(C)c1c(C(N)=O)cc(-c2ccc(F)cc2)cc1-c1ccnn1CC1CC1
InChIInChI=1S/C24H26FN3O/c1-24(2,3)22-19(21-10-11-27-28(21)14-15-4-5-15)12-17(13-20(22)23(26)29)16-6-8-18(25)9-7-16/h6-13,15H,4-5,14H2,1-3H3,(H2,26,29)
InChIKeyIRECWZHJNPBVJG-UHFFFAOYSA-N
MW391.49 g/mol
LogP5.16
Rot. Bonds5

About 2-tert-butyl-3-[2-(cyclopropylmethyl)pyrazol-3-yl]-5-(4-fluorophenyl)benzamide

2-tert-butyl-3-[2-(cyclopropylmethyl)pyrazol-3-yl]-5-(4-fluorophenyl)benzamide (PubChem CID 174932650) has the molecular formula C24H26FN3O and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-tert-butyl-3-[2-(cyclopropylmethyl)pyrazol-3-yl]-5-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-tert-butyl-3-[2-(cyclopropylmethyl)pyrazol-3-yl]-5-(4-fluorophenyl)benzamide
PubChem CID174932650
Molecular FormulaC24H26FN3O
Molecular Weight391.49 g/mol
Exact Mass391.21
IUPAC Name2-tert-butyl-3-[2-(cyclopropylmethyl)pyrazol-3-yl]-5-(4-fluorophenyl)benzamide
SMILESCC(C)(C)c1c(C(N)=O)cc(-c2ccc(F)cc2)cc1-c1ccnn1CC1CC1
InChIInChI=1S/C24H26FN3O/c1-24(2,3)22-19(21-10-11-27-28(21)14-15-4-5-15)12-17(13-20(22)23(26)29)16-6-8-18(25)9-7-16/h6-13,15H,4-5,14H2,1-3H3,(H2,26,29)
InChIKeyIRECWZHJNPBVJG-UHFFFAOYSA-N
XLogP5.16
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.49
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-3-[2-(cyclopropylmethyl)pyrazol-3-yl]-5-(4-fluorophenyl)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

2-tert-butyl-3-(2-cyclopropylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]benzamide
CID 174931905
3-butyl-2-[2-(cyclopropylmethyl)pyrazol-3-yl]-6-(4-fluorophenyl)pyridine-4-carboxamide
CID 174913760
N-tert-butyl-2-[2-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 130298804
1-(cyclopropylmethyl)-5-(4-fluorophenyl)triazole-4-carboxylic acid
CID 102644330
1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-amine
CID 134439969
2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxamide
CID 161043600
2-(oxan-4-ylmethyl)pyrazole-3-carboxamide
CID 90104813
3-(4-carbamoyl-3-fluorophenyl)-1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 175835370
1-(cyclopropylmethyl)-5-(5-fluoro-2-pyridinyl)-4-oxopyridine-3-carboxamide
CID 175763959
2-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-fluoroaniline
CID 61351666
5-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 86721229
2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methyl]pyrazole-3-carboxamide
CID 140596113

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-[2-(cyclopropylmethyl)pyrazol-3-yl]-5-(4-fluorophenyl)benzamide?
The IUPAC name of 2-tert-butyl-3-[2-(cyclopropylmethyl)pyrazol-3-yl]-5-(4-fluorophenyl)benzamide (CID 174932650) is 2-tert-butyl-3-[2-(cyclopropylmethyl)pyrazol-3-yl]-5-(4-fluorophenyl)benzamide.
What is the SMILES notation for 2-tert-butyl-3-[2-(cyclopropylmethyl)pyrazol-3-yl]-5-(4-fluorophenyl)benzamide?
The canonical SMILES for 2-tert-butyl-3-[2-(cyclopropylmethyl)pyrazol-3-yl]-5-(4-fluorophenyl)benzamide is CC(C)(C)c1c(C(N)=O)cc(-c2ccc(F)cc2)cc1-c1ccnn1CC1CC1.
What is the InChIKey of 2-tert-butyl-3-[2-(cyclopropylmethyl)pyrazol-3-yl]-5-(4-fluorophenyl)benzamide?
The InChIKey is IRECWZHJNPBVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O/c1-24(2,3)22-19(21-10-11-27-28(21)14-15-4-5-15)12-17(13-20(22)23(26)29)16-6-8-18(25)9-7-16/h6-13,15H,4-5,14H2,1-3H3,(H2,26,29).
What are the key properties of 2-tert-butyl-3-[2-(cyclopropylmethyl)pyrazol-3-yl]-5-(4-fluorophenyl)benzamide?
2-tert-butyl-3-[2-(cyclopropylmethyl)pyrazol-3-yl]-5-(4-fluorophenyl)benzamide has a molecular weight of 391.49 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-[2-(cyclopropylmethyl)pyrazol-3-yl]-5-(4-fluorophenyl)benzamide is sourced from PubChem (CID 174932650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).