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

C23H28FN3O — CID 24862710

IUPAC5-butyl-4-(3-fluorophenyl)-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCC1=NN(C(=O)NC(C)(C)c2ccccc2)CC1c1cccc(F)c1
InChIInChI=1S/C23H28FN3O/c1-4-5-14-21-20(17-10-9-13-19(24)15-17)16-27(26-21)22(28)25-23(2,3)18-11-7-6-8-12-18/h6-13,15,20H,4-5,14,16H2,1-3H3,(H,25,28)
InChIKeyZAQCGLYDKHDHAR-UHFFFAOYSA-N
MW381.50 g/mol
LogP5.42
Rot. Bonds6

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

5-butyl-4-(3-fluorophenyl)-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 24862710) has the molecular formula C23H28FN3O and a molecular weight of 381.50 g/mol. Its IUPAC name is 5-butyl-4-(3-fluorophenyl)-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-butyl-4-(3-fluorophenyl)-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID24862710
Molecular FormulaC23H28FN3O
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC Name5-butyl-4-(3-fluorophenyl)-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCC1=NN(C(=O)NC(C)(C)c2ccccc2)CC1c1cccc(F)c1
InChIInChI=1S/C23H28FN3O/c1-4-5-14-21-20(17-10-9-13-19(24)15-17)16-27(26-21)22(28)25-23(2,3)18-11-7-6-8-12-18/h6-13,15,20H,4-5,14,16H2,1-3H3,(H,25,28)
InChIKeyZAQCGLYDKHDHAR-UHFFFAOYSA-N
XLogP5.42
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.50
LogP ≤ 55.42
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
N-(2,2-diphenylpropyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 24863614
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
5-pentyl-4-phenyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide
CID 67068884
N-[2-(3-fluorophenyl)propan-2-yl]-2-phenylacetamide
CID 12790289
4-phenyl-5-(4,4,4-trifluorobutyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydropyrazole-2-carboxamide
CID 67068924
5-butyl-4-pyridin-3-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide
CID 58899503
1-(3-fluorophenyl)-N-(2-phenylpropan-2-yl)cyclopropane-1-carboxamide
CID 139815337
3-N-butyl-1-N-ethyl-4-(3-fluorophenyl)pyrrolidine-1,3-dicarboxamide
CID 71956269
N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpiperidine-1-carboxamide
CID 110490573

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-(3-fluorophenyl)-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-butyl-4-(3-fluorophenyl)-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide (CID 24862710) is 5-butyl-4-(3-fluorophenyl)-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-butyl-4-(3-fluorophenyl)-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-butyl-4-(3-fluorophenyl)-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide is CCCCC1=NN(C(=O)NC(C)(C)c2ccccc2)CC1c1cccc(F)c1.
What is the InChIKey of 5-butyl-4-(3-fluorophenyl)-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is ZAQCGLYDKHDHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O/c1-4-5-14-21-20(17-10-9-13-19(24)15-17)16-27(26-21)22(28)25-23(2,3)18-11-7-6-8-12-18/h6-13,15,20H,4-5,14,16H2,1-3H3,(H,25,28).
What are the key properties of 5-butyl-4-(3-fluorophenyl)-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide?
5-butyl-4-(3-fluorophenyl)-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-(3-fluorophenyl)-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 24862710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).