5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine

C11H10F3N3 — CID 10657722

IUPAC5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
SMILESCc1cc(Nc2ccc(C(F)(F)F)cc2)n[nH]1
InChIInChI=1S/C11H10F3N3/c1-7-6-10(17-16-7)15-9-4-2-8(3-5-9)11(12,13)14/h2-6H,1H3,(H2,15,16,17)
InChIKeyWXILLJGDWAKFKY-UHFFFAOYSA-N
MW241.22 g/mol
LogP3.48
Rot. Bonds2

About 5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine

5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine (PubChem CID 10657722) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
PubChem CID10657722
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
SMILESCc1cc(Nc2ccc(C(F)(F)F)cc2)n[nH]1
InChIInChI=1S/C11H10F3N3/c1-7-6-10(17-16-7)15-9-4-2-8(3-5-9)11(12,13)14/h2-6H,1H3,(H2,15,16,17)
InChIKeyWXILLJGDWAKFKY-UHFFFAOYSA-N
XLogP3.48
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 144664157
3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 59619116
5-tert-butyl-N-(4-fluorophenyl)-1H-pyrazol-3-amine
CID 68993437
2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80760167
6-hydrazinyl-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80919814
N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 175738777
2-N-(2,4-difluorophenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-6-(trifluoromethyl)quinazoline-2,4-diamine
CID 170946144
5-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 68954806
6-methyl-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine
CID 129133333
4-N-propan-2-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112854627
2-N-(3,5-dimethylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112902638
6-fluoro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 61229555

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine (CID 10657722) is 5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine is Cc1cc(Nc2ccc(C(F)(F)F)cc2)n[nH]1.
What is the InChIKey of 5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is WXILLJGDWAKFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c1-7-6-10(17-16-7)15-9-4-2-8(3-5-9)11(12,13)14/h2-6H,1H3,(H2,15,16,17).
What are the key properties of 5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 241.22 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 10657722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).