5-(2,2-difluoroethoxymethyl)-1-ethylpyrazol-3-amine

C8H13F2N3O — CID 122171369

IUPAC5-(2,2-difluoroethoxymethyl)-1-ethylpyrazol-3-amine
SMILESCCn1nc(N)cc1COCC(F)F
InChIInChI=1S/C8H13F2N3O/c1-2-13-6(3-8(11)12-13)4-14-5-7(9)10/h3,7H,2,4-5H2,1H3,(H2,11,12)
InChIKeyIWBRXISKEOMIMQ-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.27
Rot. Bonds5

About 5-(2,2-difluoroethoxymethyl)-1-ethylpyrazol-3-amine

5-(2,2-difluoroethoxymethyl)-1-ethylpyrazol-3-amine (PubChem CID 122171369) has the molecular formula C8H13F2N3O and a molecular weight of 205.21 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxymethyl)-1-ethylpyrazol-3-amine.

Molecular Properties

Compound Name5-(2,2-difluoroethoxymethyl)-1-ethylpyrazol-3-amine
PubChem CID122171369
Molecular FormulaC8H13F2N3O
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name5-(2,2-difluoroethoxymethyl)-1-ethylpyrazol-3-amine
SMILESCCn1nc(N)cc1COCC(F)F
InChIInChI=1S/C8H13F2N3O/c1-2-13-6(3-8(11)12-13)4-14-5-7(9)10/h3,7H,2,4-5H2,1H3,(H2,11,12)
InChIKeyIWBRXISKEOMIMQ-UHFFFAOYSA-N
XLogP1.27
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2,2-difluoroethoxymethyl)-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-(2,2-difluoroethoxymethyl)-1-ethylpyrazol-3-amine?
The IUPAC name of 5-(2,2-difluoroethoxymethyl)-1-ethylpyrazol-3-amine (CID 122171369) is 5-(2,2-difluoroethoxymethyl)-1-ethylpyrazol-3-amine.
What is the SMILES notation for 5-(2,2-difluoroethoxymethyl)-1-ethylpyrazol-3-amine?
The canonical SMILES for 5-(2,2-difluoroethoxymethyl)-1-ethylpyrazol-3-amine is CCn1nc(N)cc1COCC(F)F.
What is the InChIKey of 5-(2,2-difluoroethoxymethyl)-1-ethylpyrazol-3-amine?
The InChIKey is IWBRXISKEOMIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O/c1-2-13-6(3-8(11)12-13)4-14-5-7(9)10/h3,7H,2,4-5H2,1H3,(H2,11,12).
What are the key properties of 5-(2,2-difluoroethoxymethyl)-1-ethylpyrazol-3-amine?
5-(2,2-difluoroethoxymethyl)-1-ethylpyrazol-3-amine has a molecular weight of 205.21 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxymethyl)-1-ethylpyrazol-3-amine is sourced from PubChem (CID 122171369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).