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

C27H28FN3O — CID 25230445

IUPACN-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-2-(2-phenylethyl)-3,4-dihydropyrazole-5-carboxamide
SMILESCC(C)(NC(=O)C1=NN(CCc2ccccc2)C(c2ccccc2)C1)c1ccc(F)cc1
InChIInChI=1S/C27H28FN3O/c1-27(2,22-13-15-23(28)16-14-22)29-26(32)24-19-25(21-11-7-4-8-12-21)31(30-24)18-17-20-9-5-3-6-10-20/h3-16,25H,17-19H2,1-2H3,(H,29,32)
InChIKeyCSYAUBMCXLTFSW-UHFFFAOYSA-N
MW429.54 g/mol
LogP5.22
Rot. Bonds7

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

N-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-2-(2-phenylethyl)-3,4-dihydropyrazole-5-carboxamide (PubChem CID 25230445) has the molecular formula C27H28FN3O and a molecular weight of 429.54 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-2-(2-phenylethyl)-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-2-(2-phenylethyl)-3,4-dihydropyrazole-5-carboxamide
PubChem CID25230445
Molecular FormulaC27H28FN3O
Molecular Weight429.54 g/mol
Exact Mass429.22
IUPAC NameN-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-2-(2-phenylethyl)-3,4-dihydropyrazole-5-carboxamide
SMILESCC(C)(NC(=O)C1=NN(CCc2ccccc2)C(c2ccccc2)C1)c1ccc(F)cc1
InChIInChI=1S/C27H28FN3O/c1-27(2,22-13-15-23(28)16-14-22)29-26(32)24-19-25(21-11-7-4-8-12-21)31(30-24)18-17-20-9-5-3-6-10-20/h3-16,25H,17-19H2,1-2H3,(H,29,32)
InChIKeyCSYAUBMCXLTFSW-UHFFFAOYSA-N
XLogP5.22
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.54
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-2-(2-phenylethyl)-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-2-(2-phenylethyl)-3,4-dihydropyrazole-5-carboxamide (CID 25230445) is N-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-2-(2-phenylethyl)-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-2-(2-phenylethyl)-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-2-(2-phenylethyl)-3,4-dihydropyrazole-5-carboxamide is CC(C)(NC(=O)C1=NN(CCc2ccccc2)C(c2ccccc2)C1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-2-(2-phenylethyl)-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is CSYAUBMCXLTFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O/c1-27(2,22-13-15-23(28)16-14-22)29-26(32)24-19-25(21-11-7-4-8-12-21)31(30-24)18-17-20-9-5-3-6-10-20/h3-16,25H,17-19H2,1-2H3,(H,29,32).
What are the key properties of N-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-2-(2-phenylethyl)-3,4-dihydropyrazole-5-carboxamide?
N-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-2-(2-phenylethyl)-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 429.54 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-2-(2-phenylethyl)-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 25230445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).