1-[1-(2,2-difluoropropyl)pyrazol-3-yl]ethanamine

C8H13F2N3 — CID 156717453

IUPAC1-[1-(2,2-difluoropropyl)pyrazol-3-yl]ethanamine
SMILESCC(N)c1ccn(CC(C)(F)F)n1
InChIInChI=1S/C8H13F2N3/c1-6(11)7-3-4-13(12-7)5-8(2,9)10/h3-4,6H,5,11H2,1-2H3
InChIKeyLRILTWZGANAINO-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.56
Rot. Bonds3

About 1-[1-(2,2-difluoropropyl)pyrazol-3-yl]ethanamine

1-[1-(2,2-difluoropropyl)pyrazol-3-yl]ethanamine (PubChem CID 156717453) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-[1-(2,2-difluoropropyl)pyrazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2,2-difluoropropyl)pyrazol-3-yl]ethanamine
PubChem CID156717453
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name1-[1-(2,2-difluoropropyl)pyrazol-3-yl]ethanamine
SMILESCC(N)c1ccn(CC(C)(F)F)n1
InChIInChI=1S/C8H13F2N3/c1-6(11)7-3-4-13(12-7)5-8(2,9)10/h3-4,6H,5,11H2,1-2H3
InChIKeyLRILTWZGANAINO-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoropropyl)pyrazol-3-yl]ethanamine?
The IUPAC name of 1-[1-(2,2-difluoropropyl)pyrazol-3-yl]ethanamine (CID 156717453) is 1-[1-(2,2-difluoropropyl)pyrazol-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(2,2-difluoropropyl)pyrazol-3-yl]ethanamine?
The canonical SMILES for 1-[1-(2,2-difluoropropyl)pyrazol-3-yl]ethanamine is CC(N)c1ccn(CC(C)(F)F)n1.
What is the InChIKey of 1-[1-(2,2-difluoropropyl)pyrazol-3-yl]ethanamine?
The InChIKey is LRILTWZGANAINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3/c1-6(11)7-3-4-13(12-7)5-8(2,9)10/h3-4,6H,5,11H2,1-2H3.
What are the key properties of 1-[1-(2,2-difluoropropyl)pyrazol-3-yl]ethanamine?
1-[1-(2,2-difluoropropyl)pyrazol-3-yl]ethanamine has a molecular weight of 189.21 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoropropyl)pyrazol-3-yl]ethanamine is sourced from PubChem (CID 156717453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).