1-(2,2-difluoroethyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine

C10H15F2N3O — CID 115921012

IUPAC1-(2,2-difluoroethyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine
SMILESCC1OCCC1Nc1ccn(CC(F)F)n1
InChIInChI=1S/C10H15F2N3O/c1-7-8(3-5-16-7)13-10-2-4-15(14-10)6-9(11)12/h2,4,7-9H,3,5-6H2,1H3,(H,13,14)
InChIKeyPQGDMGGSIATBRG-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.74
Rot. Bonds4

About 1-(2,2-difluoroethyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine

1-(2,2-difluoroethyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine (PubChem CID 115921012) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine
PubChem CID115921012
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name1-(2,2-difluoroethyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine
SMILESCC1OCCC1Nc1ccn(CC(F)F)n1
InChIInChI=1S/C10H15F2N3O/c1-7-8(3-5-16-7)13-10-2-4-15(14-10)6-9(11)12/h2,4,7-9H,3,5-6H2,1H3,(H,13,14)
InChIKeyPQGDMGGSIATBRG-UHFFFAOYSA-N
XLogP1.74
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-difluoroethyl)-N-(2-methyloxolan-3-yl)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-(2,2-difluoroethyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine (CID 115921012) is 1-(2,2-difluoroethyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine is CC1OCCC1Nc1ccn(CC(F)F)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine?
The InChIKey is PQGDMGGSIATBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c1-7-8(3-5-16-7)13-10-2-4-15(14-10)6-9(11)12/h2,4,7-9H,3,5-6H2,1H3,(H,13,14).
What are the key properties of 1-(2,2-difluoroethyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine?
1-(2,2-difluoroethyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine has a molecular weight of 231.25 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine is sourced from PubChem (CID 115921012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).