[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine

C8H12F3N3 — CID 70855967

IUPAC[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine
SMILESCC(C)n1cc(CN)c(C(F)(F)F)n1
InChIInChI=1S/C8H12F3N3/c1-5(2)14-4-6(3-12)7(13-14)8(9,10)11/h4-5H,3,12H2,1-2H3
InChIKeyBLLRYDRRKPIYNW-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.94
Rot. Bonds2

About [1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine

[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine (PubChem CID 70855967) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is [1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine
PubChem CID70855967
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine
SMILESCC(C)n1cc(CN)c(C(F)(F)F)n1
InChIInChI=1S/C8H12F3N3/c1-5(2)14-4-6(3-12)7(13-14)8(9,10)11/h4-5H,3,12H2,1-2H3
InChIKeyBLLRYDRRKPIYNW-UHFFFAOYSA-N
XLogP1.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine?
The IUPAC name of [1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine (CID 70855967) is [1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine is CC(C)n1cc(CN)c(C(F)(F)F)n1.
What is the InChIKey of [1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine?
The InChIKey is BLLRYDRRKPIYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-5(2)14-4-6(3-12)7(13-14)8(9,10)11/h4-5H,3,12H2,1-2H3.
What are the key properties of [1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine?
[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine has a molecular weight of 207.20 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 70855967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).