3-[(1-methylpyrazol-3-yl)methylamino]oxolan-2-one

C9H13N3O2 — CID 131107562

IUPAC3-[(1-methylpyrazol-3-yl)methylamino]oxolan-2-one
SMILESCn1ccc(CNC2CCOC2=O)n1
InChIInChI=1S/C9H13N3O2/c1-12-4-2-7(11-12)6-10-8-3-5-14-9(8)13/h2,4,8,10H,3,5-6H2,1H3
InChIKeyOINNETAVCWJXQB-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.17
Rot. Bonds3

About 3-[(1-methylpyrazol-3-yl)methylamino]oxolan-2-one

3-[(1-methylpyrazol-3-yl)methylamino]oxolan-2-one (PubChem CID 131107562) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-3-yl)methylamino]oxolan-2-one.

Molecular Properties

Compound Name3-[(1-methylpyrazol-3-yl)methylamino]oxolan-2-one
PubChem CID131107562
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-[(1-methylpyrazol-3-yl)methylamino]oxolan-2-one
SMILESCn1ccc(CNC2CCOC2=O)n1
InChIInChI=1S/C9H13N3O2/c1-12-4-2-7(11-12)6-10-8-3-5-14-9(8)13/h2,4,8,10H,3,5-6H2,1H3
InChIKeyOINNETAVCWJXQB-UHFFFAOYSA-N
XLogP-0.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-3-[(1-methylpyrazol-3-yl)methylamino]pyrrolidine-2,5-dione
CID 82882121
N-[(1-methylpyrazol-3-yl)methyl]-1-oxothian-4-amine
CID 82881570
N-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82881493
3-[(1-methylpyrazol-3-yl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 82873070
3-[(5-methylfuran-2-yl)methylamino]oxolan-2-one
CID 43823904
2-[(1-methylpyrazol-3-yl)methylamino]cyclohexan-1-ol
CID 78967242
3-N,3-N-dimethyl-1-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1,3-diamine
CID 115881332
1-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1,3-diamine
CID 82882921
1-[(1-methylpyrazol-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238895
6-methyl-N-[(1-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78948041
[4-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol
CID 103753154
N-[(1-methylpyrazol-3-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81434408

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-3-yl)methylamino]oxolan-2-one?
The IUPAC name of 3-[(1-methylpyrazol-3-yl)methylamino]oxolan-2-one (CID 131107562) is 3-[(1-methylpyrazol-3-yl)methylamino]oxolan-2-one.
What is the SMILES notation for 3-[(1-methylpyrazol-3-yl)methylamino]oxolan-2-one?
The canonical SMILES for 3-[(1-methylpyrazol-3-yl)methylamino]oxolan-2-one is Cn1ccc(CNC2CCOC2=O)n1.
What is the InChIKey of 3-[(1-methylpyrazol-3-yl)methylamino]oxolan-2-one?
The InChIKey is OINNETAVCWJXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12-4-2-7(11-12)6-10-8-3-5-14-9(8)13/h2,4,8,10H,3,5-6H2,1H3.
What are the key properties of 3-[(1-methylpyrazol-3-yl)methylamino]oxolan-2-one?
3-[(1-methylpyrazol-3-yl)methylamino]oxolan-2-one has a molecular weight of 195.22 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-3-yl)methylamino]oxolan-2-one is sourced from PubChem (CID 131107562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).