5-[[(1-ethylpyrazol-3-yl)amino]methyl]-3,3-difluorooxolan-2-one

C10H13F2N3O2 — CID 114252054

IUPAC5-[[(1-ethylpyrazol-3-yl)amino]methyl]-3,3-difluorooxolan-2-one
SMILESCCn1ccc(NCC2CC(F)(F)C(=O)O2)n1
InChIInChI=1S/C10H13F2N3O2/c1-2-15-4-3-8(14-15)13-6-7-5-10(11,12)9(16)17-7/h3-4,7H,2,5-6H2,1H3,(H,13,14)
InChIKeyGVSIKAVXUMTORL-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.27
Rot. Bonds4

About 5-[[(1-ethylpyrazol-3-yl)amino]methyl]-3,3-difluorooxolan-2-one

5-[[(1-ethylpyrazol-3-yl)amino]methyl]-3,3-difluorooxolan-2-one (PubChem CID 114252054) has the molecular formula C10H13F2N3O2 and a molecular weight of 245.23 g/mol. Its IUPAC name is 5-[[(1-ethylpyrazol-3-yl)amino]methyl]-3,3-difluorooxolan-2-one.

Molecular Properties

Compound Name5-[[(1-ethylpyrazol-3-yl)amino]methyl]-3,3-difluorooxolan-2-one
PubChem CID114252054
Molecular FormulaC10H13F2N3O2
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name5-[[(1-ethylpyrazol-3-yl)amino]methyl]-3,3-difluorooxolan-2-one
SMILESCCn1ccc(NCC2CC(F)(F)C(=O)O2)n1
InChIInChI=1S/C10H13F2N3O2/c1-2-15-4-3-8(14-15)13-6-7-5-10(11,12)9(16)17-7/h3-4,7H,2,5-6H2,1H3,(H,13,14)
InChIKeyGVSIKAVXUMTORL-UHFFFAOYSA-N
XLogP1.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1-ethylpyrazol-3-yl)amino]methyl]-3,3-difluorooxolan-2-one?
The IUPAC name of 5-[[(1-ethylpyrazol-3-yl)amino]methyl]-3,3-difluorooxolan-2-one (CID 114252054) is 5-[[(1-ethylpyrazol-3-yl)amino]methyl]-3,3-difluorooxolan-2-one.
What is the SMILES notation for 5-[[(1-ethylpyrazol-3-yl)amino]methyl]-3,3-difluorooxolan-2-one?
The canonical SMILES for 5-[[(1-ethylpyrazol-3-yl)amino]methyl]-3,3-difluorooxolan-2-one is CCn1ccc(NCC2CC(F)(F)C(=O)O2)n1.
What is the InChIKey of 5-[[(1-ethylpyrazol-3-yl)amino]methyl]-3,3-difluorooxolan-2-one?
The InChIKey is GVSIKAVXUMTORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O2/c1-2-15-4-3-8(14-15)13-6-7-5-10(11,12)9(16)17-7/h3-4,7H,2,5-6H2,1H3,(H,13,14).
What are the key properties of 5-[[(1-ethylpyrazol-3-yl)amino]methyl]-3,3-difluorooxolan-2-one?
5-[[(1-ethylpyrazol-3-yl)amino]methyl]-3,3-difluorooxolan-2-one has a molecular weight of 245.23 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-ethylpyrazol-3-yl)amino]methyl]-3,3-difluorooxolan-2-one is sourced from PubChem (CID 114252054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).