3-[2-chloro-5-(trifluoromethyl)anilino]-N,5-dimethyl-1H-pyrazole-4-carboxamide

C13H12ClF3N4O — CID 71845872

IUPAC3-[2-chloro-5-(trifluoromethyl)anilino]-N,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1c(Nc2cc(C(F)(F)F)ccc2Cl)n[nH]c1C
InChIInChI=1S/C13H12ClF3N4O/c1-6-10(12(22)18-2)11(21-20-6)19-9-5-7(13(15,16)17)3-4-8(9)14/h3-5H,1-2H3,(H,18,22)(H2,19,20,21)
InChIKeyBIWDYACVLGVMFB-UHFFFAOYSA-N
MW332.71 g/mol
LogP3.49
Rot. Bonds3

About 3-[2-chloro-5-(trifluoromethyl)anilino]-N,5-dimethyl-1H-pyrazole-4-carboxamide

3-[2-chloro-5-(trifluoromethyl)anilino]-N,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 71845872) has the molecular formula C13H12ClF3N4O and a molecular weight of 332.71 g/mol. Its IUPAC name is 3-[2-chloro-5-(trifluoromethyl)anilino]-N,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[2-chloro-5-(trifluoromethyl)anilino]-N,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID71845872
Molecular FormulaC13H12ClF3N4O
Molecular Weight332.71 g/mol
Exact Mass332.07
IUPAC Name3-[2-chloro-5-(trifluoromethyl)anilino]-N,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1c(Nc2cc(C(F)(F)F)ccc2Cl)n[nH]c1C
InChIInChI=1S/C13H12ClF3N4O/c1-6-10(12(22)18-2)11(21-20-6)19-9-5-7(13(15,16)17)3-4-8(9)14/h3-5H,1-2H3,(H,18,22)(H2,19,20,21)
InChIKeyBIWDYACVLGVMFB-UHFFFAOYSA-N
XLogP3.49
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.71
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methylpyridin-2-amine
CID 106876475
3-[2-chloro-5-(trifluoromethyl)anilino]-6-methyl-4H-1,2,4-triazin-5-one
CID 135561118
2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-dimethylacetamide
CID 28567503
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 17173190
N'-[6-[2-chloro-5-(trifluoromethyl)anilino]-5-nitropyrimidin-4-yl]-4-methylbenzohydrazide
CID 23479719
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682635
4-[[5-amino-6-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzoic acid
CID 22541316
2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyrimidine-5-carboxamide
CID 109262415
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113035470
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide
CID 4175923
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpyridine-2-carboxamide
CID 171682359
6-[2-chloro-5-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
CID 60791798

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-(trifluoromethyl)anilino]-N,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[2-chloro-5-(trifluoromethyl)anilino]-N,5-dimethyl-1H-pyrazole-4-carboxamide (CID 71845872) is 3-[2-chloro-5-(trifluoromethyl)anilino]-N,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[2-chloro-5-(trifluoromethyl)anilino]-N,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[2-chloro-5-(trifluoromethyl)anilino]-N,5-dimethyl-1H-pyrazole-4-carboxamide is CNC(=O)c1c(Nc2cc(C(F)(F)F)ccc2Cl)n[nH]c1C.
What is the InChIKey of 3-[2-chloro-5-(trifluoromethyl)anilino]-N,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is BIWDYACVLGVMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N4O/c1-6-10(12(22)18-2)11(21-20-6)19-9-5-7(13(15,16)17)3-4-8(9)14/h3-5H,1-2H3,(H,18,22)(H2,19,20,21).
What are the key properties of 3-[2-chloro-5-(trifluoromethyl)anilino]-N,5-dimethyl-1H-pyrazole-4-carboxamide?
3-[2-chloro-5-(trifluoromethyl)anilino]-N,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 332.71 g/mol, XLogP of 3.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-5-(trifluoromethyl)anilino]-N,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71845872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).