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

C17H14F3N3 — CID 10805428

IUPAC5-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
SMILESCc1[nH]nc(Nc2ccc(C(F)(F)F)cc2)c1-c1ccccc1
InChIInChI=1S/C17H14F3N3/c1-11-15(12-5-3-2-4-6-12)16(23-22-11)21-14-9-7-13(8-10-14)17(18,19)20/h2-10H,1H3,(H2,21,22,23)
InChIKeyQEEIPIODSXKDCN-UHFFFAOYSA-N
MW317.31 g/mol
LogP5.15
Rot. Bonds3

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

5-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine (PubChem CID 10805428) has the molecular formula C17H14F3N3 and a molecular weight of 317.31 g/mol. Its IUPAC name is 5-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
PubChem CID10805428
Molecular FormulaC17H14F3N3
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC Name5-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
SMILESCc1[nH]nc(Nc2ccc(C(F)(F)F)cc2)c1-c1ccccc1
InChIInChI=1S/C17H14F3N3/c1-11-15(12-5-3-2-4-6-12)16(23-22-11)21-14-9-7-13(8-10-14)17(18,19)20/h2-10H,1H3,(H2,21,22,23)
InChIKeyQEEIPIODSXKDCN-UHFFFAOYSA-N
XLogP5.15
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.31
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine (CID 10805428) is 5-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine is Cc1[nH]nc(Nc2ccc(C(F)(F)F)cc2)c1-c1ccccc1.
What is the InChIKey of 5-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is QEEIPIODSXKDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3/c1-11-15(12-5-3-2-4-6-12)16(23-22-11)21-14-9-7-13(8-10-14)17(18,19)20/h2-10H,1H3,(H2,21,22,23).
What are the key properties of 5-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
5-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 317.31 g/mol, XLogP of 5.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 10805428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).