1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-amine

C8H13F2N3O2 — CID 146569681

IUPAC1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-amine
SMILESCOCCOc1nn(CC(F)F)cc1N
InChIInChI=1S/C8H13F2N3O2/c1-14-2-3-15-8-6(11)4-13(12-8)5-7(9)10/h4,7H,2-3,5,11H2,1H3
InChIKeySVIYPVISTOBNEN-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.76
Rot. Bonds6

About 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-amine

1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-amine (PubChem CID 146569681) has the molecular formula C8H13F2N3O2 and a molecular weight of 221.21 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-amine
PubChem CID146569681
Molecular FormulaC8H13F2N3O2
Molecular Weight221.21 g/mol
Exact Mass221.10
IUPAC Name1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-amine
SMILESCOCCOc1nn(CC(F)F)cc1N
InChIInChI=1S/C8H13F2N3O2/c1-14-2-3-15-8-6(11)4-13(12-8)5-7(9)10/h4,7H,2-3,5,11H2,1H3
InChIKeySVIYPVISTOBNEN-UHFFFAOYSA-N
XLogP0.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-amine (CID 146569681) is 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-amine is COCCOc1nn(CC(F)F)cc1N.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-amine?
The InChIKey is SVIYPVISTOBNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O2/c1-14-2-3-15-8-6(11)4-13(12-8)5-7(9)10/h4,7H,2-3,5,11H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-amine?
1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-amine has a molecular weight of 221.21 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)pyrazol-4-amine is sourced from PubChem (CID 146569681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).