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

C22H18FN3O — CID 10689814

IUPAC3-(4-fluorophenyl)-N,5-diphenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccccc1)N1N=C(c2ccccc2)CC1c1ccc(F)cc1
InChIInChI=1S/C22H18FN3O/c23-18-13-11-17(12-14-18)21-15-20(16-7-3-1-4-8-16)25-26(21)22(27)24-19-9-5-2-6-10-19/h1-14,21H,15H2,(H,24,27)
InChIKeyKQMAKRIUDSUUMM-UHFFFAOYSA-N
MW359.40 g/mol
LogP5.21
Rot. Bonds3

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

3-(4-fluorophenyl)-N,5-diphenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 10689814) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N,5-diphenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N,5-diphenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID10689814
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name3-(4-fluorophenyl)-N,5-diphenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccccc1)N1N=C(c2ccccc2)CC1c1ccc(F)cc1
InChIInChI=1S/C22H18FN3O/c23-18-13-11-17(12-14-18)21-15-20(16-7-3-1-4-8-16)25-26(21)22(27)24-19-9-5-2-6-10-19/h1-14,21H,15H2,(H,24,27)
InChIKeyKQMAKRIUDSUUMM-UHFFFAOYSA-N
XLogP5.21
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.40
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N,5-diphenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N,5-diphenyl-3,4-dihydropyrazole-2-carboxamide (CID 10689814) is 3-(4-fluorophenyl)-N,5-diphenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N,5-diphenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N,5-diphenyl-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1ccccc1)N1N=C(c2ccccc2)CC1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N,5-diphenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is KQMAKRIUDSUUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c23-18-13-11-17(12-14-18)21-15-20(16-7-3-1-4-8-16)25-26(21)22(27)24-19-9-5-2-6-10-19/h1-14,21H,15H2,(H,24,27).
What are the key properties of 3-(4-fluorophenyl)-N,5-diphenyl-3,4-dihydropyrazole-2-carboxamide?
3-(4-fluorophenyl)-N,5-diphenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N,5-diphenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 10689814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).