3,5-bis(4-fluorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide

C22H17F2N3O — CID 10833431

IUPAC3,5-bis(4-fluorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccccc1)N1N=C(c2ccc(F)cc2)CC1c1ccc(F)cc1
InChIInChI=1S/C22H17F2N3O/c23-17-10-6-15(7-11-17)20-14-21(16-8-12-18(24)13-9-16)27(26-20)22(28)25-19-4-2-1-3-5-19/h1-13,21H,14H2,(H,25,28)
InChIKeyWQXFMDRKTHGKBR-UHFFFAOYSA-N
MW377.39 g/mol
LogP5.35
Rot. Bonds3

About 3,5-bis(4-fluorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide

3,5-bis(4-fluorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 10833431) has the molecular formula C22H17F2N3O and a molecular weight of 377.39 g/mol. Its IUPAC name is 3,5-bis(4-fluorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name3,5-bis(4-fluorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID10833431
Molecular FormulaC22H17F2N3O
Molecular Weight377.39 g/mol
Exact Mass377.13
IUPAC Name3,5-bis(4-fluorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccccc1)N1N=C(c2ccc(F)cc2)CC1c1ccc(F)cc1
InChIInChI=1S/C22H17F2N3O/c23-17-10-6-15(7-11-17)20-14-21(16-8-12-18(24)13-9-16)27(26-20)22(28)25-19-4-2-1-3-5-19/h1-13,21H,14H2,(H,25,28)
InChIKeyWQXFMDRKTHGKBR-UHFFFAOYSA-N
XLogP5.35
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.39
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5-bis(4-fluorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-fluorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 3,5-bis(4-fluorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 10833431) is 3,5-bis(4-fluorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 3,5-bis(4-fluorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 3,5-bis(4-fluorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1ccccc1)N1N=C(c2ccc(F)cc2)CC1c1ccc(F)cc1.
What is the InChIKey of 3,5-bis(4-fluorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is WQXFMDRKTHGKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O/c23-17-10-6-15(7-11-17)20-14-21(16-8-12-18(24)13-9-16)27(26-20)22(28)25-19-4-2-1-3-5-19/h1-13,21H,14H2,(H,25,28).
What are the key properties of 3,5-bis(4-fluorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide?
3,5-bis(4-fluorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 377.39 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-fluorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 10833431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).