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

C9H14F3N3O — CID 167237064

IUPAC3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine
SMILESCC(C)Oc1nn(C(C)C(F)(F)F)cc1N
InChIInChI=1S/C9H14F3N3O/c1-5(2)16-8-7(13)4-15(14-8)6(3)9(10,11)12/h4-6H,13H2,1-3H3
InChIKeyHFKVABCAFSBHIO-UHFFFAOYSA-N
MW237.23 g/mol
LogP2.38
Rot. Bonds3

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

3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine (PubChem CID 167237064) has the molecular formula C9H14F3N3O and a molecular weight of 237.23 g/mol. Its IUPAC name is 3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine
PubChem CID167237064
Molecular FormulaC9H14F3N3O
Molecular Weight237.23 g/mol
Exact Mass237.11
IUPAC Name3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine
SMILESCC(C)Oc1nn(C(C)C(F)(F)F)cc1N
InChIInChI=1S/C9H14F3N3O/c1-5(2)16-8-7(13)4-15(14-8)6(3)9(10,11)12/h4-6H,13H2,1-3H3
InChIKeyHFKVABCAFSBHIO-UHFFFAOYSA-N
XLogP2.38
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine?
The IUPAC name of 3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine (CID 167237064) is 3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine.
What is the SMILES notation for 3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine?
The canonical SMILES for 3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine is CC(C)Oc1nn(C(C)C(F)(F)F)cc1N.
What is the InChIKey of 3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine?
The InChIKey is HFKVABCAFSBHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-5(2)16-8-7(13)4-15(14-8)6(3)9(10,11)12/h4-6H,13H2,1-3H3.
What are the key properties of 3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine?
3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine has a molecular weight of 237.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine is sourced from PubChem (CID 167237064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).