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

C23H19F2N3O — CID 11841121

IUPAC3,5-bis(4-fluorophenyl)-N-(4-methylphenyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCc1ccc(NC(=O)N2N=C(c3ccc(F)cc3)CC2c2ccc(F)cc2)cc1
InChIInChI=1S/C23H19F2N3O/c1-15-2-12-20(13-3-15)26-23(29)28-22(17-6-10-19(25)11-7-17)14-21(27-28)16-4-8-18(24)9-5-16/h2-13,22H,14H2,1H3,(H,26,29)
InChIKeyPIHYTSBQXKFXBD-UHFFFAOYSA-N
MW391.42 g/mol
LogP5.66
Rot. Bonds3

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

3,5-bis(4-fluorophenyl)-N-(4-methylphenyl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 11841121) has the molecular formula C23H19F2N3O and a molecular weight of 391.42 g/mol. Its IUPAC name is 3,5-bis(4-fluorophenyl)-N-(4-methylphenyl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name3,5-bis(4-fluorophenyl)-N-(4-methylphenyl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID11841121
Molecular FormulaC23H19F2N3O
Molecular Weight391.42 g/mol
Exact Mass391.15
IUPAC Name3,5-bis(4-fluorophenyl)-N-(4-methylphenyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCc1ccc(NC(=O)N2N=C(c3ccc(F)cc3)CC2c2ccc(F)cc2)cc1
InChIInChI=1S/C23H19F2N3O/c1-15-2-12-20(13-3-15)26-23(29)28-22(17-6-10-19(25)11-7-17)14-21(27-28)16-4-8-18(24)9-5-16/h2-13,22H,14H2,1H3,(H,26,29)
InChIKeyPIHYTSBQXKFXBD-UHFFFAOYSA-N
XLogP5.66
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.42
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-fluorophenyl)-N-(4-methylphenyl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 3,5-bis(4-fluorophenyl)-N-(4-methylphenyl)-3,4-dihydropyrazole-2-carboxamide (CID 11841121) is 3,5-bis(4-fluorophenyl)-N-(4-methylphenyl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 3,5-bis(4-fluorophenyl)-N-(4-methylphenyl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 3,5-bis(4-fluorophenyl)-N-(4-methylphenyl)-3,4-dihydropyrazole-2-carboxamide is Cc1ccc(NC(=O)N2N=C(c3ccc(F)cc3)CC2c2ccc(F)cc2)cc1.
What is the InChIKey of 3,5-bis(4-fluorophenyl)-N-(4-methylphenyl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is PIHYTSBQXKFXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O/c1-15-2-12-20(13-3-15)26-23(29)28-22(17-6-10-19(25)11-7-17)14-21(27-28)16-4-8-18(24)9-5-16/h2-13,22H,14H2,1H3,(H,26,29).
What are the key properties of 3,5-bis(4-fluorophenyl)-N-(4-methylphenyl)-3,4-dihydropyrazole-2-carboxamide?
3,5-bis(4-fluorophenyl)-N-(4-methylphenyl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 391.42 g/mol, XLogP of 5.66, 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-(4-methylphenyl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 11841121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).