5-butyl-4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide

C23H27F2N3O — CID 24862715

IUPAC5-butyl-4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCC1=NN(C(=O)NC(C)(C)c2ccc(F)cc2)CC1c1ccccc1F
InChIInChI=1S/C23H27F2N3O/c1-4-5-10-21-19(18-8-6-7-9-20(18)25)15-28(27-21)22(29)26-23(2,3)16-11-13-17(24)14-12-16/h6-9,11-14,19H,4-5,10,15H2,1-3H3,(H,26,29)
InChIKeyPUJGHPNAKVHGMH-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.56
Rot. Bonds6

About 5-butyl-4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide

5-butyl-4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide (PubChem CID 24862715) has the molecular formula C23H27F2N3O and a molecular weight of 399.49 g/mol. Its IUPAC name is 5-butyl-4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-butyl-4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide
PubChem CID24862715
Molecular FormulaC23H27F2N3O
Molecular Weight399.49 g/mol
Exact Mass399.21
IUPAC Name5-butyl-4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCC1=NN(C(=O)NC(C)(C)c2ccc(F)cc2)CC1c1ccccc1F
InChIInChI=1S/C23H27F2N3O/c1-4-5-10-21-19(18-8-6-7-9-20(18)25)15-28(27-21)22(29)26-23(2,3)16-11-13-17(24)14-12-16/h6-9,11-14,19H,4-5,10,15H2,1-3H3,(H,26,29)
InChIKeyPUJGHPNAKVHGMH-UHFFFAOYSA-N
XLogP5.56
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-butyl-4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide with MolForge

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Related Compounds

5-butyl-4-(2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide
CID 24863782
5-butyl-4-(3-fluorophenyl)-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide
CID 24862710
4-(1-benzothiophen-3-yl)-5-butyl-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide
CID 24863965
5-butyl-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 142696305
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-pentyl-4-phenyl-N-(1-phenylethyl)-3,4-dihydropyrazole-2-carboxamide
CID 24863230
N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide
CID 110469721
N-[2-(4-fluorophenyl)propan-2-yl]-4-methylpiperazine-1-carboxamide
CID 110469745
N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 113216117
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

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-butyl-4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide (CID 24862715) is 5-butyl-4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-butyl-4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-butyl-4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide is CCCCC1=NN(C(=O)NC(C)(C)c2ccc(F)cc2)CC1c1ccccc1F.
What is the InChIKey of 5-butyl-4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is PUJGHPNAKVHGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O/c1-4-5-10-21-19(18-8-6-7-9-20(18)25)15-28(27-21)22(29)26-23(2,3)16-11-13-17(24)14-12-16/h6-9,11-14,19H,4-5,10,15H2,1-3H3,(H,26,29).
What are the key properties of 5-butyl-4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide?
5-butyl-4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 5.56, 6 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-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 24862715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).