1-(propan-2-yloxymethyl)-4-(trifluoromethyl)pyrazol-5-amine

C8H12F3N3O — CID 170418236

IUPAC1-(propan-2-yloxymethyl)-4-(trifluoromethyl)pyrazol-5-amine
SMILESCC(C)OCn1ncc(C(F)(F)F)c1N
InChIInChI=1S/C8H12F3N3O/c1-5(2)15-4-14-7(12)6(3-13-14)8(9,10)11/h3,5H,4,12H2,1-2H3
InChIKeyXTCGIOVUUTZHPN-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.87
Rot. Bonds3

About 1-(propan-2-yloxymethyl)-4-(trifluoromethyl)pyrazol-5-amine

1-(propan-2-yloxymethyl)-4-(trifluoromethyl)pyrazol-5-amine (PubChem CID 170418236) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 1-(propan-2-yloxymethyl)-4-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(propan-2-yloxymethyl)-4-(trifluoromethyl)pyrazol-5-amine
PubChem CID170418236
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name1-(propan-2-yloxymethyl)-4-(trifluoromethyl)pyrazol-5-amine
SMILESCC(C)OCn1ncc(C(F)(F)F)c1N
InChIInChI=1S/C8H12F3N3O/c1-5(2)15-4-14-7(12)6(3-13-14)8(9,10)11/h3,5H,4,12H2,1-2H3
InChIKeyXTCGIOVUUTZHPN-UHFFFAOYSA-N
XLogP1.87
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-yloxymethyl)-4-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-(propan-2-yloxymethyl)-4-(trifluoromethyl)pyrazol-5-amine (CID 170418236) is 1-(propan-2-yloxymethyl)-4-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-(propan-2-yloxymethyl)-4-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-(propan-2-yloxymethyl)-4-(trifluoromethyl)pyrazol-5-amine is CC(C)OCn1ncc(C(F)(F)F)c1N.
What is the InChIKey of 1-(propan-2-yloxymethyl)-4-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is XTCGIOVUUTZHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-5(2)15-4-14-7(12)6(3-13-14)8(9,10)11/h3,5H,4,12H2,1-2H3.
What are the key properties of 1-(propan-2-yloxymethyl)-4-(trifluoromethyl)pyrazol-5-amine?
1-(propan-2-yloxymethyl)-4-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 223.20 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-yloxymethyl)-4-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 170418236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).