[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanamine

C6H9F2N3 — CID 126844201

IUPAC[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanamine
SMILESCn1cc(CN)c(C(F)F)n1
InChIInChI=1S/C6H9F2N3/c1-11-3-4(2-9)5(10-11)6(7)8/h3,6H,2,9H2,1H3
InChIKeyWDKKGZNYJVJZSJ-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.82
Rot. Bonds2

About [3-(difluoromethyl)-1-methylpyrazol-4-yl]methanamine

[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanamine (PubChem CID 126844201) has the molecular formula C6H9F2N3 and a molecular weight of 161.16 g/mol. Its IUPAC name is [3-(difluoromethyl)-1-methylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanamine
PubChem CID126844201
Molecular FormulaC6H9F2N3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanamine
SMILESCn1cc(CN)c(C(F)F)n1
InChIInChI=1S/C6H9F2N3/c1-11-3-4(2-9)5(10-11)6(7)8/h3,6H,2,9H2,1H3
InChIKeyWDKKGZNYJVJZSJ-UHFFFAOYSA-N
XLogP0.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(difluoromethyl)-1-methylpyrazol-4-yl]methanamine 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 [3-(difluoromethyl)-1-methylpyrazol-4-yl]methanamine?
The IUPAC name of [3-(difluoromethyl)-1-methylpyrazol-4-yl]methanamine (CID 126844201) is [3-(difluoromethyl)-1-methylpyrazol-4-yl]methanamine.
What is the SMILES notation for [3-(difluoromethyl)-1-methylpyrazol-4-yl]methanamine?
The canonical SMILES for [3-(difluoromethyl)-1-methylpyrazol-4-yl]methanamine is Cn1cc(CN)c(C(F)F)n1.
What is the InChIKey of [3-(difluoromethyl)-1-methylpyrazol-4-yl]methanamine?
The InChIKey is WDKKGZNYJVJZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3/c1-11-3-4(2-9)5(10-11)6(7)8/h3,6H,2,9H2,1H3.
What are the key properties of [3-(difluoromethyl)-1-methylpyrazol-4-yl]methanamine?
[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanamine has a molecular weight of 161.16 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-1-methylpyrazol-4-yl]methanamine is sourced from PubChem (CID 126844201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).