1-(3-cyano-4-fluorophenyl)-N-[4-(2-ethylimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C23H15F5N6O — CID 11294705

IUPAC1-(3-cyano-4-fluorophenyl)-N-[4-(2-ethylimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc(F)c(C#N)c2)c(F)c1
InChIInChI=1S/C23H15F5N6O/c1-2-21-30-7-8-33(21)14-4-6-18(17(25)10-14)31-22(35)19-11-20(23(26,27)28)32-34(19)15-3-5-16(24)13(9-15)12-29/h3-11H,2H2,1H3,(H,31,35)
InChIKeyCUOFJIDUDYMGAN-UHFFFAOYSA-N
MW486.40 g/mol
LogP5.04
Rot. Bonds5

About 1-(3-cyano-4-fluorophenyl)-N-[4-(2-ethylimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-(3-cyano-4-fluorophenyl)-N-[4-(2-ethylimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 11294705) has the molecular formula C23H15F5N6O and a molecular weight of 486.40 g/mol. Its IUPAC name is 1-(3-cyano-4-fluorophenyl)-N-[4-(2-ethylimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-cyano-4-fluorophenyl)-N-[4-(2-ethylimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID11294705
Molecular FormulaC23H15F5N6O
Molecular Weight486.40 g/mol
Exact Mass486.12
IUPAC Name1-(3-cyano-4-fluorophenyl)-N-[4-(2-ethylimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc(F)c(C#N)c2)c(F)c1
InChIInChI=1S/C23H15F5N6O/c1-2-21-30-7-8-33(21)14-4-6-18(17(25)10-14)31-22(35)19-11-20(23(26,27)28)32-34(19)15-3-5-16(24)13(9-15)12-29/h3-11H,2H2,1H3,(H,31,35)
InChIKeyCUOFJIDUDYMGAN-UHFFFAOYSA-N
XLogP5.04
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.40
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-cyano-4-fluorophenyl)-N-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 142129946
1-(3-amino-1,2-benzoxazol-5-yl)-N-[4-(2-ethylimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 10141691
1-(3-amino-1,2-benzoxazol-5-yl)-N-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-cyano-4-fluorophenyl)-N-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-cyano-4-fluorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxylic acid;4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluoroaniline
CID 158443697
1-(3-amino-1,2-benzoxazol-5-yl)-N-[2-cyano-4-(2-methylimidazol-1-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 11468217
1-(3-cyanophenyl)-N-[2-fluoro-5-(1-phenylethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155107461
1-(3-carbamimidoylphenyl)-N-[2-fluoro-4-(5-nitrobenzimidazol-1-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 23646198
1-(3-cyanophenyl)-N-[5-[(3-cyanophenyl)-hydroxymethyl]-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 118356168
2-fluoro-5-[5-[3-(2-methylsulfonylphenyl)-2,5-dihydroindigole-1-carbonyl]-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile
CID 139983622
1-(3-amino-1,2-benzoxazol-5-yl)-N-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 10118358
N-[5-(1-chloro-3-cyclopropylpropyl)-2-fluorophenyl]-1-(3-cyanophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 118356087
5-[5-(6-bromo-4-oxo-2,3-dihydroquinoline-1-carbonyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzonitrile
CID 22732078
1-[3-(aminomethyl)phenyl]-N-(4-cyclopropyl-2-fluorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 164625932

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-4-fluorophenyl)-N-[4-(2-ethylimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(3-cyano-4-fluorophenyl)-N-[4-(2-ethylimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 11294705) is 1-(3-cyano-4-fluorophenyl)-N-[4-(2-ethylimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-cyano-4-fluorophenyl)-N-[4-(2-ethylimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(3-cyano-4-fluorophenyl)-N-[4-(2-ethylimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is CCc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc(F)c(C#N)c2)c(F)c1.
What is the InChIKey of 1-(3-cyano-4-fluorophenyl)-N-[4-(2-ethylimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is CUOFJIDUDYMGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F5N6O/c1-2-21-30-7-8-33(21)14-4-6-18(17(25)10-14)31-22(35)19-11-20(23(26,27)28)32-34(19)15-3-5-16(24)13(9-15)12-29/h3-11H,2H2,1H3,(H,31,35).
What are the key properties of 1-(3-cyano-4-fluorophenyl)-N-[4-(2-ethylimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-(3-cyano-4-fluorophenyl)-N-[4-(2-ethylimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 486.40 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-4-fluorophenyl)-N-[4-(2-ethylimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 11294705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).