4-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine

C17H14F3N3 — CID 2764851

IUPAC4-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESCc1ccc(-c2cnn(-c3cccc(C(F)(F)F)c3)c2N)cc1
InChIInChI=1S/C17H14F3N3/c1-11-5-7-12(8-6-11)15-10-22-23(16(15)21)14-4-2-3-13(9-14)17(18,19)20/h2-10H,21H2,1H3
InChIKeyMQSVELGCRZRYNB-UHFFFAOYSA-N
MW317.31 g/mol
LogP4.45
Rot. Bonds2

About 4-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine

4-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine (PubChem CID 2764851) has the molecular formula C17H14F3N3 and a molecular weight of 317.31 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
PubChem CID2764851
Molecular FormulaC17H14F3N3
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC Name4-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESCc1ccc(-c2cnn(-c3cccc(C(F)(F)F)c3)c2N)cc1
InChIInChI=1S/C17H14F3N3/c1-11-5-7-12(8-6-11)15-10-22-23(16(15)21)14-4-2-3-13(9-14)17(18,19)20/h2-10H,21H2,1H3
InChIKeyMQSVELGCRZRYNB-UHFFFAOYSA-N
XLogP4.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The IUPAC name of 4-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine (CID 2764851) is 4-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine.
What is the SMILES notation for 4-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The canonical SMILES for 4-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine is Cc1ccc(-c2cnn(-c3cccc(C(F)(F)F)c3)c2N)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The InChIKey is MQSVELGCRZRYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3/c1-11-5-7-12(8-6-11)15-10-22-23(16(15)21)14-4-2-3-13(9-14)17(18,19)20/h2-10H,21H2,1H3.
What are the key properties of 4-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
4-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine has a molecular weight of 317.31 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine is sourced from PubChem (CID 2764851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).