N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide

C19H14F4N4O — CID 16757068

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide
SMILESCC1(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC(c2ccc(F)cc2)N=N1
InChIInChI=1S/C19H14F4N4O/c1-18(9-16(26-27-18)11-2-5-13(20)6-3-11)17(28)25-14-7-4-12(10-24)15(8-14)19(21,22)23/h2-8,16H,9H2,1H3,(H,25,28)
InChIKeyJYSQYJXPSMYVLE-UHFFFAOYSA-N
MW390.34 g/mol
LogP5.01
Rot. Bonds3

About N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide

N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 16757068) has the molecular formula C19H14F4N4O and a molecular weight of 390.34 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID16757068
Molecular FormulaC19H14F4N4O
Molecular Weight390.34 g/mol
Exact Mass390.11
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide
SMILESCC1(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC(c2ccc(F)cc2)N=N1
InChIInChI=1S/C19H14F4N4O/c1-18(9-16(26-27-18)11-2-5-13(20)6-3-11)17(28)25-14-7-4-12(10-24)15(8-14)19(21,22)23/h2-8,16H,9H2,1H3,(H,25,28)
InChIKeyJYSQYJXPSMYVLE-UHFFFAOYSA-N
XLogP5.01
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.34
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide
CID 66619964
3-(4-ethylphenyl)-N-[4-isocyano-3-(trifluoromethyl)phenyl]-5-methyl-3,4-dihydropyrazole-5-carboxamide
CID 90994022
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)-3,4-dihydropyrazole-5-carboxamide
CID 87077785
N-[4-cyano-3-(trifluoromethyl)phenyl]-3,5-dimethyl-2,4-dihydropyrrole-3-carboxamide
CID 157177699
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,4-dihydropyrazole-5-carboxamide
CID 16756515
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-2-hydroxy-2-methylpropanamide
CID 71046957
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenoxy)-2-oxopropanamide
CID 143610755
(E)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)but-2-enamide
CID 156842002
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide
CID 23134401
N-[4-cyano-3-(trifluoromethyl)phenyl]-5-(ethylsulfanylmethyl)-3-methylpyrazolidine-3-carboxamide
CID 143231336
N-[4-cyano-3-(trifluoromethyl)phenyl]-4-methyl-2-oxo-1-phenylimidazolidine-4-carboxamide
CID 11696738
2-(azetidin-3-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]propanamide
CID 116678216

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide (CID 16757068) is N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide is CC1(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC(c2ccc(F)cc2)N=N1.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is JYSQYJXPSMYVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N4O/c1-18(9-16(26-27-18)11-2-5-13(20)6-3-11)17(28)25-14-7-4-12(10-24)15(8-14)19(21,22)23/h2-8,16H,9H2,1H3,(H,25,28).
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 390.34 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 16757068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).