1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine

C11H10F3N3 — CID 2740916

IUPAC1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCn1nc(C(F)(F)F)c(-c2ccccc2)c1N
InChIInChI=1S/C11H10F3N3/c1-17-10(15)8(7-5-3-2-4-6-7)9(16-17)11(12,13)14/h2-6H,15H2,1H3
InChIKeyKCCKFLAAEZFOPE-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.69
Rot. Bonds1

About 1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine

1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 2740916) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID2740916
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCn1nc(C(F)(F)F)c(-c2ccccc2)c1N
InChIInChI=1S/C11H10F3N3/c1-17-10(15)8(7-5-3-2-4-6-7)9(16-17)11(12,13)14/h2-6H,15H2,1H3
InChIKeyKCCKFLAAEZFOPE-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine (CID 2740916) is 1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine is Cn1nc(C(F)(F)F)c(-c2ccccc2)c1N.
What is the InChIKey of 1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is KCCKFLAAEZFOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c1-17-10(15)8(7-5-3-2-4-6-7)9(16-17)11(12,13)14/h2-6H,15H2,1H3.
What are the key properties of 1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine?
1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 241.22 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 2740916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).