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

C22H17F2N3O — CID 134156846

IUPACN,3-bis(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1N=C(c2ccccc2)CC1c1ccc(F)cc1
InChIInChI=1S/C22H17F2N3O/c23-17-8-6-16(7-9-17)21-14-20(15-4-2-1-3-5-15)26-27(21)22(28)25-19-12-10-18(24)11-13-19/h1-13,21H,14H2,(H,25,28)
InChIKeyTZKUGIRGCXPINC-UHFFFAOYSA-N
MW377.39 g/mol
LogP5.35
Rot. Bonds3

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

N,3-bis(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 134156846) has the molecular formula C22H17F2N3O and a molecular weight of 377.39 g/mol. Its IUPAC name is N,3-bis(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN,3-bis(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID134156846
Molecular FormulaC22H17F2N3O
Molecular Weight377.39 g/mol
Exact Mass377.13
IUPAC NameN,3-bis(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1N=C(c2ccccc2)CC1c1ccc(F)cc1
InChIInChI=1S/C22H17F2N3O/c23-17-8-6-16(7-9-17)21-14-20(15-4-2-1-3-5-15)26-27(21)22(28)25-19-12-10-18(24)11-13-19/h1-13,21H,14H2,(H,25,28)
InChIKeyTZKUGIRGCXPINC-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

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Frequently Asked Questions

What is the IUPAC name of N,3-bis(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N,3-bis(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 134156846) is N,3-bis(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N,3-bis(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N,3-bis(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1ccc(F)cc1)N1N=C(c2ccccc2)CC1c1ccc(F)cc1.
What is the InChIKey of N,3-bis(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is TZKUGIRGCXPINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O/c23-17-8-6-16(7-9-17)21-14-20(15-4-2-1-3-5-15)26-27(21)22(28)25-19-12-10-18(24)11-13-19/h1-13,21H,14H2,(H,25,28).
What are the key properties of N,3-bis(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide?
N,3-bis(4-fluorophenyl)-5-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 N,3-bis(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 134156846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).