1-(difluoromethyl)pyrazol-3-amine

C4H5F2N3 — CID 23160373

IUPAC1-(difluoromethyl)pyrazol-3-amine
SMILESNc1ccn(C(F)F)n1
InChIInChI=1S/C4H5F2N3/c5-4(6)9-2-1-3(7)8-9/h1-2,4H,(H2,7,8)
InChIKeyHEUVPMSAIGHNCH-UHFFFAOYSA-N
MW133.10 g/mol
LogP0.86
Rot. Bonds1

About 1-(difluoromethyl)pyrazol-3-amine

1-(difluoromethyl)pyrazol-3-amine (PubChem CID 23160373) has the molecular formula C4H5F2N3 and a molecular weight of 133.10 g/mol. Its IUPAC name is 1-(difluoromethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(difluoromethyl)pyrazol-3-amine
PubChem CID23160373
Molecular FormulaC4H5F2N3
Molecular Weight133.10 g/mol
Exact Mass133.05
IUPAC Name1-(difluoromethyl)pyrazol-3-amine
SMILESNc1ccn(C(F)F)n1
InChIInChI=1S/C4H5F2N3/c5-4(6)9-2-1-3(7)8-9/h1-2,4H,(H2,7,8)
InChIKeyHEUVPMSAIGHNCH-UHFFFAOYSA-N
XLogP0.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(difluoromethyl)pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)pyrazol-3-amine?
The IUPAC name of 1-(difluoromethyl)pyrazol-3-amine (CID 23160373) is 1-(difluoromethyl)pyrazol-3-amine.
What is the SMILES notation for 1-(difluoromethyl)pyrazol-3-amine?
The canonical SMILES for 1-(difluoromethyl)pyrazol-3-amine is Nc1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)pyrazol-3-amine?
The InChIKey is HEUVPMSAIGHNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2N3/c5-4(6)9-2-1-3(7)8-9/h1-2,4H,(H2,7,8).
What are the key properties of 1-(difluoromethyl)pyrazol-3-amine?
1-(difluoromethyl)pyrazol-3-amine has a molecular weight of 133.10 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)pyrazol-3-amine is sourced from PubChem (CID 23160373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).