[2-(3,5-diethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine

C15H18F3N3 — CID 82696807

IUPAC[2-(3,5-diethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine
SMILESCCc1cc(CC)n(-c2ccc(C(F)(F)F)cc2CN)n1
InChIInChI=1S/C15H18F3N3/c1-3-12-8-13(4-2)21(20-12)14-6-5-11(15(16,17)18)7-10(14)9-19/h5-8H,3-4,9,19H2,1-2H3
InChIKeyQGRSTKDYJVSDPN-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.47
Rot. Bonds4

About [2-(3,5-diethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine

[2-(3,5-diethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine (PubChem CID 82696807) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is [2-(3,5-diethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(3,5-diethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine
PubChem CID82696807
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name[2-(3,5-diethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine
SMILESCCc1cc(CC)n(-c2ccc(C(F)(F)F)cc2CN)n1
InChIInChI=1S/C15H18F3N3/c1-3-12-8-13(4-2)21(20-12)14-6-5-11(15(16,17)18)7-10(14)9-19/h5-8H,3-4,9,19H2,1-2H3
InChIKeyQGRSTKDYJVSDPN-UHFFFAOYSA-N
XLogP3.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-diethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2-(3,5-diethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine (CID 82696807) is [2-(3,5-diethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2-(3,5-diethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2-(3,5-diethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine is CCc1cc(CC)n(-c2ccc(C(F)(F)F)cc2CN)n1.
What is the InChIKey of [2-(3,5-diethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine?
The InChIKey is QGRSTKDYJVSDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-3-12-8-13(4-2)21(20-12)14-6-5-11(15(16,17)18)7-10(14)9-19/h5-8H,3-4,9,19H2,1-2H3.
What are the key properties of [2-(3,5-diethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine?
[2-(3,5-diethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine has a molecular weight of 297.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-diethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 82696807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).