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

C26H32FN3O — CID 25230446

IUPAC2-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCC(C)(NC(=O)C1=NN(CC2CCCCC2)C(c2ccccc2)C1)c1ccc(F)cc1
InChIInChI=1S/C26H32FN3O/c1-26(2,21-13-15-22(27)16-14-21)28-25(31)23-17-24(20-11-7-4-8-12-20)30(29-23)18-19-9-5-3-6-10-19/h4,7-8,11-16,19,24H,3,5-6,9-10,17-18H2,1-2H3,(H,28,31)
InChIKeyWAROXWMGSYZZDW-UHFFFAOYSA-N
MW421.56 g/mol
LogP5.56
Rot. Bonds6

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

2-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 25230446) has the molecular formula C26H32FN3O and a molecular weight of 421.56 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID25230446
Molecular FormulaC26H32FN3O
Molecular Weight421.56 g/mol
Exact Mass421.25
IUPAC Name2-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCC(C)(NC(=O)C1=NN(CC2CCCCC2)C(c2ccccc2)C1)c1ccc(F)cc1
InChIInChI=1S/C26H32FN3O/c1-26(2,21-13-15-22(27)16-14-21)28-25(31)23-17-24(20-11-7-4-8-12-20)30(29-23)18-19-9-5-3-6-10-19/h4,7-8,11-16,19,24H,3,5-6,9-10,17-18H2,1-2H3,(H,28,31)
InChIKeyWAROXWMGSYZZDW-UHFFFAOYSA-N
XLogP5.56
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.56
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 2-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-3,4-dihydropyrazole-5-carboxamide (CID 25230446) is 2-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 2-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 2-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-3,4-dihydropyrazole-5-carboxamide is CC(C)(NC(=O)C1=NN(CC2CCCCC2)C(c2ccccc2)C1)c1ccc(F)cc1.
What is the InChIKey of 2-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is WAROXWMGSYZZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O/c1-26(2,21-13-15-22(27)16-14-21)28-25(31)23-17-24(20-11-7-4-8-12-20)30(29-23)18-19-9-5-3-6-10-19/h4,7-8,11-16,19,24H,3,5-6,9-10,17-18H2,1-2H3,(H,28,31).
What are the key properties of 2-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-3,4-dihydropyrazole-5-carboxamide?
2-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 421.56 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 25230446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).