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

C9H13F2N3O — CID 115735755

IUPAC1-(2,2-difluoroethyl)-N-(oxolan-3-yl)pyrazol-3-amine
SMILESFC(F)Cn1ccc(NC2CCOC2)n1
InChIInChI=1S/C9H13F2N3O/c10-8(11)5-14-3-1-9(13-14)12-7-2-4-15-6-7/h1,3,7-8H,2,4-6H2,(H,12,13)
InChIKeyUEDJJWSXEFZZGR-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.35
Rot. Bonds4

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

1-(2,2-difluoroethyl)-N-(oxolan-3-yl)pyrazol-3-amine (PubChem CID 115735755) has the molecular formula C9H13F2N3O and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(oxolan-3-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(oxolan-3-yl)pyrazol-3-amine
PubChem CID115735755
Molecular FormulaC9H13F2N3O
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name1-(2,2-difluoroethyl)-N-(oxolan-3-yl)pyrazol-3-amine
SMILESFC(F)Cn1ccc(NC2CCOC2)n1
InChIInChI=1S/C9H13F2N3O/c10-8(11)5-14-3-1-9(13-14)12-7-2-4-15-6-7/h1,3,7-8H,2,4-6H2,(H,12,13)
InChIKeyUEDJJWSXEFZZGR-UHFFFAOYSA-N
XLogP1.35
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(oxolan-3-yl)pyrazol-3-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(oxolan-3-yl)pyrazol-3-amine (CID 115735755) is 1-(2,2-difluoroethyl)-N-(oxolan-3-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(oxolan-3-yl)pyrazol-3-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(oxolan-3-yl)pyrazol-3-amine is FC(F)Cn1ccc(NC2CCOC2)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(oxolan-3-yl)pyrazol-3-amine?
The InChIKey is UEDJJWSXEFZZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O/c10-8(11)5-14-3-1-9(13-14)12-7-2-4-15-6-7/h1,3,7-8H,2,4-6H2,(H,12,13).
What are the key properties of 1-(2,2-difluoroethyl)-N-(oxolan-3-yl)pyrazol-3-amine?
1-(2,2-difluoroethyl)-N-(oxolan-3-yl)pyrazol-3-amine has a molecular weight of 217.22 g/mol, XLogP of 1.35, 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-(oxolan-3-yl)pyrazol-3-amine is sourced from PubChem (CID 115735755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).