1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C18H10ClF7N4O — CID 164863052

IUPAC1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccn1)c1cnn(Cc2cccc(F)c2Cl)c1C(F)(F)F
InChIInChI=1S/C18H10ClF7N4O/c19-14-9(2-1-3-12(14)20)8-30-15(18(24,25)26)11(7-28-30)16(31)29-13-6-10(4-5-27-13)17(21,22)23/h1-7H,8H2,(H,27,29,31)
InChIKeyXURWINBTTAZLKF-UHFFFAOYSA-N
MW466.74 g/mol
LogP5.41
Rot. Bonds4

About 1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 164863052) has the molecular formula C18H10ClF7N4O and a molecular weight of 466.74 g/mol. Its IUPAC name is 1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID164863052
Molecular FormulaC18H10ClF7N4O
Molecular Weight466.74 g/mol
Exact Mass466.04
IUPAC Name1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccn1)c1cnn(Cc2cccc(F)c2Cl)c1C(F)(F)F
InChIInChI=1S/C18H10ClF7N4O/c19-14-9(2-1-3-12(14)20)8-30-15(18(24,25)26)11(7-28-30)16(31)29-13-6-10(4-5-27-13)17(21,22)23/h1-7H,8H2,(H,27,29,31)
InChIKeyXURWINBTTAZLKF-UHFFFAOYSA-N
XLogP5.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.74
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chloro-3-fluorophenyl)methyl]-N-[5-chloro-6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 164863086
N-pyridin-2-yl-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 32699923
N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-[(3-fluoro-2-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 164863083
5-(2-chlorophenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide
CID 175455416
1-[(2-chloro-3-fluorophenyl)methyl]-5-methylpyrazole-4-carboxylic acid
CID 112652512
2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzimidazole-5-carboxamide
CID 45137150
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 141350962
1-ethyl-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 95287399
N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 115626766
3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 90303181
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 99819963
2-bromo-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide
CID 113456910

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 164863052) is 1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is O=C(Nc1cc(C(F)(F)F)ccn1)c1cnn(Cc2cccc(F)c2Cl)c1C(F)(F)F.
What is the InChIKey of 1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is XURWINBTTAZLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF7N4O/c19-14-9(2-1-3-12(14)20)8-30-15(18(24,25)26)11(7-28-30)16(31)29-13-6-10(4-5-27-13)17(21,22)23/h1-7H,8H2,(H,27,29,31).
What are the key properties of 1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 466.74 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 164863052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).