5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide

C17H11ClF3N3O — CID 170836192

IUPAC5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cn[nH]c1-c1ccccc1Cl
InChIInChI=1S/C17H11ClF3N3O/c18-14-7-2-1-6-12(14)15-13(9-22-24-15)16(25)23-11-5-3-4-10(8-11)17(19,20)21/h1-9H,(H,22,24)(H,23,25)
InChIKeyMMBOCZDDWIBGDR-UHFFFAOYSA-N
MW365.74 g/mol
LogP5.00
Rot. Bonds3

About 5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide

5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 170836192) has the molecular formula C17H11ClF3N3O and a molecular weight of 365.74 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID170836192
Molecular FormulaC17H11ClF3N3O
Molecular Weight365.74 g/mol
Exact Mass365.05
IUPAC Name5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cn[nH]c1-c1ccccc1Cl
InChIInChI=1S/C17H11ClF3N3O/c18-14-7-2-1-6-12(14)15-13(9-22-24-15)16(25)23-11-5-3-4-10(8-11)17(19,20)21/h1-9H,(H,22,24)(H,23,25)
InChIKeyMMBOCZDDWIBGDR-UHFFFAOYSA-N
XLogP5.00
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.74
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-chloro-4-fluorophenyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
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CID 60715051
N-(4-chloro-3-fluorophenyl)-1H-indazole-6-carboxamide
CID 61242666
N-[4-chloro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide
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4-[(2,6-dichlorobenzoyl)amino]-N-[3-[[3-(prop-2-enoylamino)benzoyl]amino]phenyl]-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155519663
4-[(2,6-dichlorobenzoyl)amino]-N-[4-[[3-(prop-2-enoylamino)benzoyl]amino]phenyl]-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155550938
4-[(2,6-dichlorobenzoyl)amino]-N-[4-(prop-2-enoylamino)phenyl]-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155556412
4-[(2,6-dichlorobenzoyl)amino]-N-[[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]methyl]-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155561389
4-[(2,6-dichlorobenzoyl)amino]-N-[3-(prop-2-enoylamino)phenyl]-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide (CID 170836192) is 5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cn[nH]c1-c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is MMBOCZDDWIBGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O/c18-14-7-2-1-6-12(14)15-13(9-22-24-15)16(25)23-11-5-3-4-10(8-11)17(19,20)21/h1-9H,(H,22,24)(H,23,25).
What are the key properties of 5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 365.74 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 170836192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).