1-(2,2-difluoroethyl)-3-propan-2-ylpyrazol-4-amine

C8H13F2N3 — CID 145427776

IUPAC1-(2,2-difluoroethyl)-3-propan-2-ylpyrazol-4-amine
SMILESCC(C)c1nn(CC(F)F)cc1N
InChIInChI=1S/C8H13F2N3/c1-5(2)8-6(11)3-13(12-8)4-7(9)10/h3,5,7H,4,11H2,1-2H3
InChIKeyHUJMNYWXVKLWLR-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.85
Rot. Bonds3

About 1-(2,2-difluoroethyl)-3-propan-2-ylpyrazol-4-amine

1-(2,2-difluoroethyl)-3-propan-2-ylpyrazol-4-amine (PubChem CID 145427776) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-propan-2-ylpyrazol-4-amine
PubChem CID145427776
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name1-(2,2-difluoroethyl)-3-propan-2-ylpyrazol-4-amine
SMILESCC(C)c1nn(CC(F)F)cc1N
InChIInChI=1S/C8H13F2N3/c1-5(2)8-6(11)3-13(12-8)4-7(9)10/h3,5,7H,4,11H2,1-2H3
InChIKeyHUJMNYWXVKLWLR-UHFFFAOYSA-N
XLogP1.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-propan-2-ylpyrazol-4-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-3-propan-2-ylpyrazol-4-amine (CID 145427776) is 1-(2,2-difluoroethyl)-3-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-propan-2-ylpyrazol-4-amine is CC(C)c1nn(CC(F)F)cc1N.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-propan-2-ylpyrazol-4-amine?
The InChIKey is HUJMNYWXVKLWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3/c1-5(2)8-6(11)3-13(12-8)4-7(9)10/h3,5,7H,4,11H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-propan-2-ylpyrazol-4-amine?
1-(2,2-difluoroethyl)-3-propan-2-ylpyrazol-4-amine has a molecular weight of 189.21 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 145427776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).