[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine

C6H8F3N3 — CID 53487050

IUPAC[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine
SMILESCn1cc(CN)c(C(F)(F)F)n1
InChIInChI=1S/C6H8F3N3/c1-12-3-4(2-10)5(11-12)6(7,8)9/h3H,2,10H2,1H3
InChIKeyQGLGYTXANSSOOG-UHFFFAOYSA-N
MW179.15 g/mol
LogP0.90
Rot. Bonds1

About [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine

[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine (PubChem CID 53487050) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine
PubChem CID53487050
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC Name[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine
SMILESCn1cc(CN)c(C(F)(F)F)n1
InChIInChI=1S/C6H8F3N3/c1-12-3-4(2-10)5(11-12)6(7,8)9/h3H,2,10H2,1H3
InChIKeyQGLGYTXANSSOOG-UHFFFAOYSA-N
XLogP0.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine?
The IUPAC name of [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine (CID 53487050) is [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine is Cn1cc(CN)c(C(F)(F)F)n1.
What is the InChIKey of [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine?
The InChIKey is QGLGYTXANSSOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-12-3-4(2-10)5(11-12)6(7,8)9/h3H,2,10H2,1H3.
What are the key properties of [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine?
[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine has a molecular weight of 179.15 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 53487050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).