4-methyl-4-phenyl-2-(trifluoromethyl)-3H-pyrazol-5-amine

C11H12F3N3 — CID 70580605

IUPAC4-methyl-4-phenyl-2-(trifluoromethyl)-3H-pyrazol-5-amine
SMILESCC1(c2ccccc2)CN(C(F)(F)F)N=C1N
InChIInChI=1S/C11H12F3N3/c1-10(8-5-3-2-4-6-8)7-17(11(12,13)14)16-9(10)15/h2-6H,7H2,1H3,(H2,15,16)
InChIKeyCUAXDWJGMRMQHR-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.05
Rot. Bonds1

About 4-methyl-4-phenyl-2-(trifluoromethyl)-3H-pyrazol-5-amine

4-methyl-4-phenyl-2-(trifluoromethyl)-3H-pyrazol-5-amine (PubChem CID 70580605) has the molecular formula C11H12F3N3 and a molecular weight of 243.23 g/mol. Its IUPAC name is 4-methyl-4-phenyl-2-(trifluoromethyl)-3H-pyrazol-5-amine.

Molecular Properties

Compound Name4-methyl-4-phenyl-2-(trifluoromethyl)-3H-pyrazol-5-amine
PubChem CID70580605
Molecular FormulaC11H12F3N3
Molecular Weight243.23 g/mol
Exact Mass243.10
IUPAC Name4-methyl-4-phenyl-2-(trifluoromethyl)-3H-pyrazol-5-amine
SMILESCC1(c2ccccc2)CN(C(F)(F)F)N=C1N
InChIInChI=1S/C11H12F3N3/c1-10(8-5-3-2-4-6-8)7-17(11(12,13)14)16-9(10)15/h2-6H,7H2,1H3,(H2,15,16)
InChIKeyCUAXDWJGMRMQHR-UHFFFAOYSA-N
XLogP2.05
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-phenyl-2-(trifluoromethyl)-3H-pyrazol-5-amine?
The IUPAC name of 4-methyl-4-phenyl-2-(trifluoromethyl)-3H-pyrazol-5-amine (CID 70580605) is 4-methyl-4-phenyl-2-(trifluoromethyl)-3H-pyrazol-5-amine.
What is the SMILES notation for 4-methyl-4-phenyl-2-(trifluoromethyl)-3H-pyrazol-5-amine?
The canonical SMILES for 4-methyl-4-phenyl-2-(trifluoromethyl)-3H-pyrazol-5-amine is CC1(c2ccccc2)CN(C(F)(F)F)N=C1N.
What is the InChIKey of 4-methyl-4-phenyl-2-(trifluoromethyl)-3H-pyrazol-5-amine?
The InChIKey is CUAXDWJGMRMQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3/c1-10(8-5-3-2-4-6-8)7-17(11(12,13)14)16-9(10)15/h2-6H,7H2,1H3,(H2,15,16).
What are the key properties of 4-methyl-4-phenyl-2-(trifluoromethyl)-3H-pyrazol-5-amine?
4-methyl-4-phenyl-2-(trifluoromethyl)-3H-pyrazol-5-amine has a molecular weight of 243.23 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-phenyl-2-(trifluoromethyl)-3H-pyrazol-5-amine is sourced from PubChem (CID 70580605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).