5-(1,1-difluoroethyl)-1-[(3R)-oxolan-3-yl]pyrazol-3-amine

C9H13F2N3O — CID 167534907

IUPAC5-(1,1-difluoroethyl)-1-[(3R)-oxolan-3-yl]pyrazol-3-amine
SMILESCC(F)(F)c1cc(N)nn1[C@@H]1CCOC1
InChIInChI=1S/C9H13F2N3O/c1-9(10,11)7-4-8(12)13-14(7)6-2-3-15-5-6/h4,6H,2-3,5H2,1H3,(H2,12,13)/t6-/m1/s1
InChIKeyIMPUHQJEGGRVNK-ZCFIWIBFSA-N
MW217.22 g/mol
LogP1.54
Rot. Bonds2

About 5-(1,1-difluoroethyl)-1-[(3R)-oxolan-3-yl]pyrazol-3-amine

5-(1,1-difluoroethyl)-1-[(3R)-oxolan-3-yl]pyrazol-3-amine (PubChem CID 167534907) has the molecular formula C9H13F2N3O and a molecular weight of 217.22 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-1-[(3R)-oxolan-3-yl]pyrazol-3-amine.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-1-[(3R)-oxolan-3-yl]pyrazol-3-amine
PubChem CID167534907
Molecular FormulaC9H13F2N3O
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name5-(1,1-difluoroethyl)-1-[(3R)-oxolan-3-yl]pyrazol-3-amine
SMILESCC(F)(F)c1cc(N)nn1[C@@H]1CCOC1
InChIInChI=1S/C9H13F2N3O/c1-9(10,11)7-4-8(12)13-14(7)6-2-3-15-5-6/h4,6H,2-3,5H2,1H3,(H2,12,13)/t6-/m1/s1
InChIKeyIMPUHQJEGGRVNK-ZCFIWIBFSA-N
XLogP1.54
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-1-[(3R)-oxolan-3-yl]pyrazol-3-amine?
The IUPAC name of 5-(1,1-difluoroethyl)-1-[(3R)-oxolan-3-yl]pyrazol-3-amine (CID 167534907) is 5-(1,1-difluoroethyl)-1-[(3R)-oxolan-3-yl]pyrazol-3-amine.
What is the SMILES notation for 5-(1,1-difluoroethyl)-1-[(3R)-oxolan-3-yl]pyrazol-3-amine?
The canonical SMILES for 5-(1,1-difluoroethyl)-1-[(3R)-oxolan-3-yl]pyrazol-3-amine is CC(F)(F)c1cc(N)nn1[C@@H]1CCOC1.
What is the InChIKey of 5-(1,1-difluoroethyl)-1-[(3R)-oxolan-3-yl]pyrazol-3-amine?
The InChIKey is IMPUHQJEGGRVNK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13F2N3O/c1-9(10,11)7-4-8(12)13-14(7)6-2-3-15-5-6/h4,6H,2-3,5H2,1H3,(H2,12,13)/t6-/m1/s1.
What are the key properties of 5-(1,1-difluoroethyl)-1-[(3R)-oxolan-3-yl]pyrazol-3-amine?
5-(1,1-difluoroethyl)-1-[(3R)-oxolan-3-yl]pyrazol-3-amine has a molecular weight of 217.22 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-1-[(3R)-oxolan-3-yl]pyrazol-3-amine is sourced from PubChem (CID 167534907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).