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

C17H16FN3O — CID 134153846

IUPACN-(4-fluorophenyl)-3-methyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCC1CC(c2ccccc2)=NN1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H16FN3O/c1-12-11-16(13-5-3-2-4-6-13)20-21(12)17(22)19-15-9-7-14(18)8-10-15/h2-10,12H,11H2,1H3,(H,19,22)
InChIKeyFSXQKPHYXXIDGN-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.86
Rot. Bonds2

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

N-(4-fluorophenyl)-3-methyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 134153846) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-methyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-methyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID134153846
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC NameN-(4-fluorophenyl)-3-methyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCC1CC(c2ccccc2)=NN1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H16FN3O/c1-12-11-16(13-5-3-2-4-6-13)20-21(12)17(22)19-15-9-7-14(18)8-10-15/h2-10,12H,11H2,1H3,(H,19,22)
InChIKeyFSXQKPHYXXIDGN-UHFFFAOYSA-N
XLogP3.86
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-methyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-methyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 134153846) is N-(4-fluorophenyl)-3-methyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-methyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-methyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide is CC1CC(c2ccccc2)=NN1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-methyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is FSXQKPHYXXIDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-12-11-16(13-5-3-2-4-6-13)20-21(12)17(22)19-15-9-7-14(18)8-10-15/h2-10,12H,11H2,1H3,(H,19,22).
What are the key properties of N-(4-fluorophenyl)-3-methyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide?
N-(4-fluorophenyl)-3-methyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 297.33 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-methyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 134153846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).