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

C19H9F5N8O — CID 146285151

IUPACN-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESN#Cc1cc(NC(=O)c2cnn(-c3ccc(F)cc3F)c2C(F)(F)F)cnc1-n1nccn1
InChIInChI=1S/C19H9F5N8O/c20-11-1-2-15(14(21)6-11)31-16(19(22,23)24)13(9-29-31)18(33)30-12-5-10(7-25)17(26-8-12)32-27-3-4-28-32/h1-6,8-9H,(H,30,33)
InChIKeyFVLYTGWSNDOQIQ-UHFFFAOYSA-N
MW460.33 g/mol
LogP3.27
Rot. Bonds4

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

N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 146285151) has the molecular formula C19H9F5N8O and a molecular weight of 460.33 g/mol. Its IUPAC name is N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID146285151
Molecular FormulaC19H9F5N8O
Molecular Weight460.33 g/mol
Exact Mass460.08
IUPAC NameN-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESN#Cc1cc(NC(=O)c2cnn(-c3ccc(F)cc3F)c2C(F)(F)F)cnc1-n1nccn1
InChIInChI=1S/C19H9F5N8O/c20-11-1-2-15(14(21)6-11)31-16(19(22,23)24)13(9-29-31)18(33)30-12-5-10(7-25)17(26-8-12)32-27-3-4-28-32/h1-6,8-9H,(H,30,33)
InChIKeyFVLYTGWSNDOQIQ-UHFFFAOYSA-N
XLogP3.27
TPSA114.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2-cyano-4-fluorophenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285366
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-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-[(3-fluoro-2-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 164863083
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-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285027

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 146285151) is N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is N#Cc1cc(NC(=O)c2cnn(-c3ccc(F)cc3F)c2C(F)(F)F)cnc1-n1nccn1.
What is the InChIKey of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is FVLYTGWSNDOQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9F5N8O/c20-11-1-2-15(14(21)6-11)31-16(19(22,23)24)13(9-29-31)18(33)30-12-5-10(7-25)17(26-8-12)32-27-3-4-28-32/h1-6,8-9H,(H,30,33).
What are the key properties of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 460.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 146285151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).