5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-amine

C11H10F3N3 — CID 2334902

IUPAC5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-amine
SMILESCc1cc(N)n(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C11H10F3N3/c1-7-6-10(15)17(16-7)9-5-3-2-4-8(9)11(12,13)14/h2-6H,15H2,1H3
InChIKeyWRGSUGOZPLVAIQ-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.78
Rot. Bonds1

About 5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-amine

5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-amine (PubChem CID 2334902) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-amine
PubChem CID2334902
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-amine
SMILESCc1cc(N)n(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C11H10F3N3/c1-7-6-10(15)17(16-7)9-5-3-2-4-8(9)11(12,13)14/h2-6H,15H2,1H3
InChIKeyWRGSUGOZPLVAIQ-UHFFFAOYSA-N
XLogP2.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Amino-3-methyl-1-phenylpyrazole
CID 70801
Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
1-benzyl-3-methyl-1H-pyrazol-5-amine
CID 769146
3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
CID 775688
1-tert-butyl-3-methyl-4-phenyl-1H-pyrazol-5-amine
CID 778073
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
2-Phenyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-amine
CID 7130757
5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile
CID 81585
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
3-tert-butyl-1-phenyl-1H-pyrazol-5-amine
CID 770634
1-Methyl-3-phenyl-1H-pyrazol-5-amine
CID 517779
1-(4-Fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-5-amine
CID 1478026

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-amine?
The IUPAC name of 5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-amine (CID 2334902) is 5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-amine.
What is the SMILES notation for 5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-amine?
The canonical SMILES for 5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-amine is Cc1cc(N)n(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-amine?
The InChIKey is WRGSUGOZPLVAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c1-7-6-10(15)17(16-7)9-5-3-2-4-8(9)11(12,13)14/h2-6H,15H2,1H3.
What are the key properties of 5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-amine?
5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-amine has a molecular weight of 241.22 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-amine is sourced from PubChem (CID 2334902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).