N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyrazol-1-ylacetamide

C11H17N3O3 — CID 107302127

IUPACN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyrazol-1-ylacetamide
SMILESCC1OCCC1(O)CNC(=O)Cn1cccn1
InChIInChI=1S/C11H17N3O3/c1-9-11(16,3-6-17-9)8-12-10(15)7-14-5-2-4-13-14/h2,4-5,9,16H,3,6-8H2,1H3,(H,12,15)
InChIKeyGDUVOJUIOHPWOD-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.46
Rot. Bonds4

About N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyrazol-1-ylacetamide

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyrazol-1-ylacetamide (PubChem CID 107302127) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyrazol-1-ylacetamide
PubChem CID107302127
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyrazol-1-ylacetamide
SMILESCC1OCCC1(O)CNC(=O)Cn1cccn1
InChIInChI=1S/C11H17N3O3/c1-9-11(16,3-6-17-9)8-12-10(15)7-14-5-2-4-13-14/h2,4-5,9,16H,3,6-8H2,1H3,(H,12,15)
InChIKeyGDUVOJUIOHPWOD-UHFFFAOYSA-N
XLogP-0.46
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyrazol-1-ylacetamide (CID 107302127) is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyrazol-1-ylacetamide is CC1OCCC1(O)CNC(=O)Cn1cccn1.
What is the InChIKey of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyrazol-1-ylacetamide?
The InChIKey is GDUVOJUIOHPWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-9-11(16,3-6-17-9)8-12-10(15)7-14-5-2-4-13-14/h2,4-5,9,16H,3,6-8H2,1H3,(H,12,15).
What are the key properties of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyrazol-1-ylacetamide?
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyrazol-1-ylacetamide has a molecular weight of 239.27 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 107302127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).