5-butyl-4-(2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide

C24H30FN3O — CID 24863782

IUPAC5-butyl-4-(2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCC1=NN(C(=O)NC(C)(C)Cc2ccccc2)CC1c1ccccc1F
InChIInChI=1S/C24H30FN3O/c1-4-5-15-22-20(19-13-9-10-14-21(19)25)17-28(27-22)23(29)26-24(2,3)16-18-11-7-6-8-12-18/h6-14,20H,4-5,15-17H2,1-3H3,(H,26,29)
InChIKeyFOBCBVXMGBGQMB-UHFFFAOYSA-N
MW395.52 g/mol
LogP5.50
Rot. Bonds7

About 5-butyl-4-(2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide

5-butyl-4-(2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 24863782) has the molecular formula C24H30FN3O and a molecular weight of 395.52 g/mol. Its IUPAC name is 5-butyl-4-(2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-butyl-4-(2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID24863782
Molecular FormulaC24H30FN3O
Molecular Weight395.52 g/mol
Exact Mass395.24
IUPAC Name5-butyl-4-(2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCC1=NN(C(=O)NC(C)(C)Cc2ccccc2)CC1c1ccccc1F
InChIInChI=1S/C24H30FN3O/c1-4-5-15-22-20(19-13-9-10-14-21(19)25)17-28(27-22)23(29)26-24(2,3)16-18-11-7-6-8-12-18/h6-14,20H,4-5,15-17H2,1-3H3,(H,26,29)
InChIKeyFOBCBVXMGBGQMB-UHFFFAOYSA-N
XLogP5.50
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.52
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butyl-4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide
CID 24862715
4-(1-benzothiophen-3-yl)-5-butyl-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide
CID 24863965
N-(2,2-diphenylpropyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 24863614
5-butyl-4-(2-fluorophenyl)-2-naphthalen-1-ylsulfonyl-3,4-dihydropyrazole
CID 58899466
5-butyl-4-(4-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrazole-2-carboxamide
CID 24863874
5-pentyl-4-phenyl-N-(1-phenylethyl)-3,4-dihydropyrazole-2-carboxamide
CID 24863230
5-butyl-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 142696305
N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 71189214
N-(1-naphthalen-1-ylethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 58899482
5-pentyl-4-phenyl-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide
CID 157413579
2,2-dimethyl-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 56921353
2-(2-fluorophenoxy)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100769314

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-(2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-butyl-4-(2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide (CID 24863782) is 5-butyl-4-(2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-butyl-4-(2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-butyl-4-(2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide is CCCCC1=NN(C(=O)NC(C)(C)Cc2ccccc2)CC1c1ccccc1F.
What is the InChIKey of 5-butyl-4-(2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is FOBCBVXMGBGQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O/c1-4-5-15-22-20(19-13-9-10-14-21(19)25)17-28(27-22)23(29)26-24(2,3)16-18-11-7-6-8-12-18/h6-14,20H,4-5,15-17H2,1-3H3,(H,26,29).
What are the key properties of 5-butyl-4-(2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide?
5-butyl-4-(2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 395.52 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-(2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 24863782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).