1-(2-cyano-4-fluorophenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C20H9F4N9O — CID 146285366

IUPAC1-(2-cyano-4-fluorophenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESN#Cc1cc(F)ccc1-n1ncc(C(=O)Nc2cnc(-n3nccn3)c(C#N)c2)c1C(F)(F)F
InChIInChI=1S/C20H9F4N9O/c21-13-1-2-16(11(5-13)7-25)32-17(20(22,23)24)15(10-30-32)19(34)31-14-6-12(8-26)18(27-9-14)33-28-3-4-29-33/h1-6,9-10H,(H,31,34)
InChIKeyPEAALZIQJUELHF-UHFFFAOYSA-N
MW467.35 g/mol
LogP3.00
Rot. Bonds4

About 1-(2-cyano-4-fluorophenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(2-cyano-4-fluorophenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 146285366) has the molecular formula C20H9F4N9O and a molecular weight of 467.35 g/mol. Its IUPAC name is 1-(2-cyano-4-fluorophenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyano-4-fluorophenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID146285366
Molecular FormulaC20H9F4N9O
Molecular Weight467.35 g/mol
Exact Mass467.09
IUPAC Name1-(2-cyano-4-fluorophenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESN#Cc1cc(F)ccc1-n1ncc(C(=O)Nc2cnc(-n3nccn3)c(C#N)c2)c1C(F)(F)F
InChIInChI=1S/C20H9F4N9O/c21-13-1-2-16(11(5-13)7-25)32-17(20(22,23)24)15(10-30-32)19(34)31-14-6-12(8-26)18(27-9-14)33-28-3-4-29-33/h1-6,9-10H,(H,31,34)
InChIKeyPEAALZIQJUELHF-UHFFFAOYSA-N
XLogP3.00
TPSA138.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-(2-cyano-4-fluorophenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285151
1-(4-chloro-2-methylphenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285295
1-(6-chloro-2-methyl-3-pyridinyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285339
N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(3,4-dichloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285083
N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-([1,3]dioxolo[4,5-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285357
1-(3-chloro-2-pyridinyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285264
N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1-(1,4,5-trimethylpyrazol-3-yl)pyrazole-4-carboxamide
CID 135169814
N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-[(E)-1-(3-fluoro-2-methylphenyl)prop-1-enyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 135169811
1-(2-chloro-4-fluoro-3-methylphenyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285087
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(8-cyanoimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146279677
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(1-ethynylisoquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 170244976
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(2-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285371

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-4-fluorophenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-cyano-4-fluorophenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 146285366) is 1-(2-cyano-4-fluorophenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-cyano-4-fluorophenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-cyano-4-fluorophenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is N#Cc1cc(F)ccc1-n1ncc(C(=O)Nc2cnc(-n3nccn3)c(C#N)c2)c1C(F)(F)F.
What is the InChIKey of 1-(2-cyano-4-fluorophenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is PEAALZIQJUELHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H9F4N9O/c21-13-1-2-16(11(5-13)7-25)32-17(20(22,23)24)15(10-30-32)19(34)31-14-6-12(8-26)18(27-9-14)33-28-3-4-29-33/h1-6,9-10H,(H,31,34).
What are the key properties of 1-(2-cyano-4-fluorophenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(2-cyano-4-fluorophenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 467.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-4-fluorophenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 146285366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).