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

C5H6F3N3 — CID 154938291

IUPAC[3-(trifluoromethyl)pyrazol-1-yl]methanamine
SMILESNCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C5H6F3N3/c6-5(7,8)4-1-2-11(3-9)10-4/h1-2H,3,9H2
InChIKeyPCIMVSFDZPMTFF-UHFFFAOYSA-N
MW165.12 g/mol
LogP0.82
Rot. Bonds1

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

[3-(trifluoromethyl)pyrazol-1-yl]methanamine (PubChem CID 154938291) has the molecular formula C5H6F3N3 and a molecular weight of 165.12 g/mol. Its IUPAC name is [3-(trifluoromethyl)pyrazol-1-yl]methanamine.

Molecular Properties

Compound Name[3-(trifluoromethyl)pyrazol-1-yl]methanamine
PubChem CID154938291
Molecular FormulaC5H6F3N3
Molecular Weight165.12 g/mol
Exact Mass165.05
IUPAC Name[3-(trifluoromethyl)pyrazol-1-yl]methanamine
SMILESNCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C5H6F3N3/c6-5(7,8)4-1-2-11(3-9)10-4/h1-2H,3,9H2
InChIKeyPCIMVSFDZPMTFF-UHFFFAOYSA-N
XLogP0.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.12
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)pyrazol-1-yl]methanamine?
The IUPAC name of [3-(trifluoromethyl)pyrazol-1-yl]methanamine (CID 154938291) is [3-(trifluoromethyl)pyrazol-1-yl]methanamine.
What is the SMILES notation for [3-(trifluoromethyl)pyrazol-1-yl]methanamine?
The canonical SMILES for [3-(trifluoromethyl)pyrazol-1-yl]methanamine is NCn1ccc(C(F)(F)F)n1.
What is the InChIKey of [3-(trifluoromethyl)pyrazol-1-yl]methanamine?
The InChIKey is PCIMVSFDZPMTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3/c6-5(7,8)4-1-2-11(3-9)10-4/h1-2H,3,9H2.
What are the key properties of [3-(trifluoromethyl)pyrazol-1-yl]methanamine?
[3-(trifluoromethyl)pyrazol-1-yl]methanamine has a molecular weight of 165.12 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)pyrazol-1-yl]methanamine is sourced from PubChem (CID 154938291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).