5-(2-chlorophenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide

C16H10ClF3N4O — CID 175455416

IUPAC5-(2-chlorophenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccn1)c1cn[nH]c1-c1ccccc1Cl
InChIInChI=1S/C16H10ClF3N4O/c17-12-4-2-1-3-10(12)14-11(8-22-24-14)15(25)23-13-7-9(5-6-21-13)16(18,19)20/h1-8H,(H,22,24)(H,21,23,25)
InChIKeyMERDZCZLNJSSPH-UHFFFAOYSA-N
MW366.73 g/mol
LogP4.40
Rot. Bonds3

About 5-(2-chlorophenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide

5-(2-chlorophenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide (PubChem CID 175455416) has the molecular formula C16H10ClF3N4O and a molecular weight of 366.73 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide
PubChem CID175455416
Molecular FormulaC16H10ClF3N4O
Molecular Weight366.73 g/mol
Exact Mass366.05
IUPAC Name5-(2-chlorophenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccn1)c1cn[nH]c1-c1ccccc1Cl
InChIInChI=1S/C16H10ClF3N4O/c17-12-4-2-1-3-10(12)14-11(8-22-24-14)15(25)23-13-7-9(5-6-21-13)16(18,19)20/h1-8H,(H,22,24)(H,21,23,25)
InChIKeyMERDZCZLNJSSPH-UHFFFAOYSA-N
XLogP4.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.73
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 141350962
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
2-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide
CID 99819940
N-(2-amino-2-methylpropyl)-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119630152
5-(2-chlorophenyl)-N-[4-(triazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide
CID 167877999
2-chloro-N-pyrazin-2-yl-4-(trifluoromethyl)benzamide
CID 75508828
4-hydroxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118623339
1-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 164863052
2,4-dichloro-N-[4-(trichloromethyl)-2-pyridinyl]benzamide
CID 15156845
N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 115626766
N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118063872
2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzimidazole-5-carboxamide
CID 45137150

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide (CID 175455416) is 5-(2-chlorophenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide is O=C(Nc1cc(C(F)(F)F)ccn1)c1cn[nH]c1-c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide?
The InChIKey is MERDZCZLNJSSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N4O/c17-12-4-2-1-3-10(12)14-11(8-22-24-14)15(25)23-13-7-9(5-6-21-13)16(18,19)20/h1-8H,(H,22,24)(H,21,23,25).
What are the key properties of 5-(2-chlorophenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide?
5-(2-chlorophenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide has a molecular weight of 366.73 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 175455416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).