1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine

C6H8F3N3 — CID 151769896

IUPAC1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine
SMILESCC(n1cc(N)cn1)C(F)(F)F
InChIInChI=1S/C6H8F3N3/c1-4(6(7,8)9)12-3-5(10)2-11-12/h2-4H,10H2,1H3
InChIKeyRSJDCHYFCGMIMM-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.59
Rot. Bonds1

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

1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine (PubChem CID 151769896) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is 1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine
PubChem CID151769896
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC Name1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine
SMILESCC(n1cc(N)cn1)C(F)(F)F
InChIInChI=1S/C6H8F3N3/c1-4(6(7,8)9)12-3-5(10)2-11-12/h2-4H,10H2,1H3
InChIKeyRSJDCHYFCGMIMM-UHFFFAOYSA-N
XLogP1.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine?
The IUPAC name of 1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine (CID 151769896) is 1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine is CC(n1cc(N)cn1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine?
The InChIKey is RSJDCHYFCGMIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-4(6(7,8)9)12-3-5(10)2-11-12/h2-4H,10H2,1H3.
What are the key properties of 1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine?
1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine has a molecular weight of 179.15 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine is sourced from PubChem (CID 151769896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).