1-methyl-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-amine

C7H10F3N3O — CID 103079190

IUPAC1-methyl-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-amine
SMILESCC(Oc1nn(C)cc1N)C(F)(F)F
InChIInChI=1S/C7H10F3N3O/c1-4(7(8,9)10)14-6-5(11)3-13(2)12-6/h3-4H,11H2,1-2H3
InChIKeySDWUHWUZRCYGJR-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.33
Rot. Bonds2

About 1-methyl-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-amine

1-methyl-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-amine (PubChem CID 103079190) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 1-methyl-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-amine
PubChem CID103079190
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name1-methyl-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-amine
SMILESCC(Oc1nn(C)cc1N)C(F)(F)F
InChIInChI=1S/C7H10F3N3O/c1-4(7(8,9)10)14-6-5(11)3-13(2)12-6/h3-4H,11H2,1-2H3
InChIKeySDWUHWUZRCYGJR-UHFFFAOYSA-N
XLogP1.33
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-amine?
The IUPAC name of 1-methyl-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-amine (CID 103079190) is 1-methyl-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-amine.
What is the SMILES notation for 1-methyl-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-amine?
The canonical SMILES for 1-methyl-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-amine is CC(Oc1nn(C)cc1N)C(F)(F)F.
What is the InChIKey of 1-methyl-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-amine?
The InChIKey is SDWUHWUZRCYGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-4(7(8,9)10)14-6-5(11)3-13(2)12-6/h3-4H,11H2,1-2H3.
What are the key properties of 1-methyl-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-amine?
1-methyl-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-amine has a molecular weight of 209.17 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-amine is sourced from PubChem (CID 103079190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).