N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C11H6ClF4N3O — CID 16659761

IUPACN-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C11H6ClF4N3O/c12-6-3-5(13)1-2-7(6)17-10(20)8-4-9(19-18-8)11(14,15)16/h1-4H,(H,17,20)(H,18,19)
InChIKeyHLQHJCSMAPAWCO-UHFFFAOYSA-N
MW307.63 g/mol
LogP3.47
Rot. Bonds2

About N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 16659761) has the molecular formula C11H6ClF4N3O and a molecular weight of 307.63 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID16659761
Molecular FormulaC11H6ClF4N3O
Molecular Weight307.63 g/mol
Exact Mass307.01
IUPAC NameN-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C11H6ClF4N3O/c12-6-3-5(13)1-2-7(6)17-10(20)8-4-9(19-18-8)11(14,15)16/h1-4H,(H,17,20)(H,18,19)
InChIKeyHLQHJCSMAPAWCO-UHFFFAOYSA-N
XLogP3.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.63
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 35528007
N-(3-chloro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508080
5-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 19508083
N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508169
N-(2-chloro-4-fluorophenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 50945386
5-chloro-N-(2-chloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 107371772
N-(5-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 175895372
6-bromo-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 103874071
6-amino-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 62239457
5-chloro-N-(2-chloro-4-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62166998
3,6-dichloro-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 26364309
6-amino-N-(2-chloro-4-fluorophenyl)pyridine-3-carboxamide
CID 62155431

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 16659761) is N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is O=C(Nc1ccc(F)cc1Cl)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is HLQHJCSMAPAWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF4N3O/c12-6-3-5(13)1-2-7(6)17-10(20)8-4-9(19-18-8)11(14,15)16/h1-4H,(H,17,20)(H,18,19).
What are the key properties of N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 307.63 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 16659761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).