5-(difluoromethoxymethyl)-1-ethylpyrazol-3-amine

C7H11F2N3O — CID 122171366

IUPAC5-(difluoromethoxymethyl)-1-ethylpyrazol-3-amine
SMILESCCn1nc(N)cc1COC(F)F
InChIInChI=1S/C7H11F2N3O/c1-2-12-5(3-6(10)11-12)4-13-7(8)9/h3,7H,2,4H2,1H3,(H2,10,11)
InChIKeyGXEOJJNWCSZAAH-UHFFFAOYSA-N
MW191.18 g/mol
LogP1.22
Rot. Bonds4

About 5-(difluoromethoxymethyl)-1-ethylpyrazol-3-amine

5-(difluoromethoxymethyl)-1-ethylpyrazol-3-amine (PubChem CID 122171366) has the molecular formula C7H11F2N3O and a molecular weight of 191.18 g/mol. Its IUPAC name is 5-(difluoromethoxymethyl)-1-ethylpyrazol-3-amine.

Molecular Properties

Compound Name5-(difluoromethoxymethyl)-1-ethylpyrazol-3-amine
PubChem CID122171366
Molecular FormulaC7H11F2N3O
Molecular Weight191.18 g/mol
Exact Mass191.09
IUPAC Name5-(difluoromethoxymethyl)-1-ethylpyrazol-3-amine
SMILESCCn1nc(N)cc1COC(F)F
InChIInChI=1S/C7H11F2N3O/c1-2-12-5(3-6(10)11-12)4-13-7(8)9/h3,7H,2,4H2,1H3,(H2,10,11)
InChIKeyGXEOJJNWCSZAAH-UHFFFAOYSA-N
XLogP1.22
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(difluoromethoxymethyl)-1-ethylpyrazol-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 5-(difluoromethoxymethyl)-1-ethylpyrazol-3-amine?
The IUPAC name of 5-(difluoromethoxymethyl)-1-ethylpyrazol-3-amine (CID 122171366) is 5-(difluoromethoxymethyl)-1-ethylpyrazol-3-amine.
What is the SMILES notation for 5-(difluoromethoxymethyl)-1-ethylpyrazol-3-amine?
The canonical SMILES for 5-(difluoromethoxymethyl)-1-ethylpyrazol-3-amine is CCn1nc(N)cc1COC(F)F.
What is the InChIKey of 5-(difluoromethoxymethyl)-1-ethylpyrazol-3-amine?
The InChIKey is GXEOJJNWCSZAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O/c1-2-12-5(3-6(10)11-12)4-13-7(8)9/h3,7H,2,4H2,1H3,(H2,10,11).
What are the key properties of 5-(difluoromethoxymethyl)-1-ethylpyrazol-3-amine?
5-(difluoromethoxymethyl)-1-ethylpyrazol-3-amine has a molecular weight of 191.18 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxymethyl)-1-ethylpyrazol-3-amine is sourced from PubChem (CID 122171366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).