2-(2,2-difluoroethyl)pyrazol-3-amine

C5H7F2N3 — CID 25247695

IUPAC2-(2,2-difluoroethyl)pyrazol-3-amine
SMILESNc1ccnn1CC(F)F
InChIInChI=1S/C5H7F2N3/c6-4(7)3-10-5(8)1-2-9-10/h1-2,4H,3,8H2
InChIKeyMMXDSDQGLBYPMG-UHFFFAOYSA-N
MW147.13 g/mol
LogP0.73
Rot. Bonds2

About 2-(2,2-difluoroethyl)pyrazol-3-amine

2-(2,2-difluoroethyl)pyrazol-3-amine (PubChem CID 25247695) has the molecular formula C5H7F2N3 and a molecular weight of 147.13 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)pyrazol-3-amine
PubChem CID25247695
Molecular FormulaC5H7F2N3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name2-(2,2-difluoroethyl)pyrazol-3-amine
SMILESNc1ccnn1CC(F)F
InChIInChI=1S/C5H7F2N3/c6-4(7)3-10-5(8)1-2-9-10/h1-2,4H,3,8H2
InChIKeyMMXDSDQGLBYPMG-UHFFFAOYSA-N
XLogP0.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)pyrazol-3-amine?
The IUPAC name of 2-(2,2-difluoroethyl)pyrazol-3-amine (CID 25247695) is 2-(2,2-difluoroethyl)pyrazol-3-amine.
What is the SMILES notation for 2-(2,2-difluoroethyl)pyrazol-3-amine?
The canonical SMILES for 2-(2,2-difluoroethyl)pyrazol-3-amine is Nc1ccnn1CC(F)F.
What is the InChIKey of 2-(2,2-difluoroethyl)pyrazol-3-amine?
The InChIKey is MMXDSDQGLBYPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3/c6-4(7)3-10-5(8)1-2-9-10/h1-2,4H,3,8H2.
What are the key properties of 2-(2,2-difluoroethyl)pyrazol-3-amine?
2-(2,2-difluoroethyl)pyrazol-3-amine has a molecular weight of 147.13 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 25247695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).