[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methanamine

C12H12F3N3 — CID 62727284

IUPAC[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methanamine
SMILESNCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C12H12F3N3/c13-12(14,15)11-3-1-9(2-4-11)7-18-8-10(5-16)6-17-18/h1-4,6,8H,5,7,16H2
InChIKeyLJCZGYLQEKIUIR-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.41
Rot. Bonds3

About [1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methanamine

[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methanamine (PubChem CID 62727284) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is [1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methanamine
PubChem CID62727284
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methanamine
SMILESNCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C12H12F3N3/c13-12(14,15)11-3-1-9(2-4-11)7-18-8-10(5-16)6-17-18/h1-4,6,8H,5,7,16H2
InChIKeyLJCZGYLQEKIUIR-UHFFFAOYSA-N
XLogP2.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methanamine?
The IUPAC name of [1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methanamine (CID 62727284) is [1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methanamine?
The canonical SMILES for [1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methanamine is NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of [1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methanamine?
The InChIKey is LJCZGYLQEKIUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c13-12(14,15)11-3-1-9(2-4-11)7-18-8-10(5-16)6-17-18/h1-4,6,8H,5,7,16H2.
What are the key properties of [1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methanamine?
[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methanamine has a molecular weight of 255.24 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methanamine is sourced from PubChem (CID 62727284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).