2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide

C12H19N3O3 — CID 121145156

IUPAC2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
SMILESCOCC(=O)Nc1cnn(CC2CCCCO2)c1
InChIInChI=1S/C12H19N3O3/c1-17-9-12(16)14-10-6-13-15(7-10)8-11-4-2-3-5-18-11/h6-7,11H,2-5,8-9H2,1H3,(H,14,16)
InChIKeyCEGBIYFIUYBYBE-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.04
Rot. Bonds5

About 2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide

2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide (PubChem CID 121145156) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
PubChem CID121145156
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
SMILESCOCC(=O)Nc1cnn(CC2CCCCO2)c1
InChIInChI=1S/C12H19N3O3/c1-17-9-12(16)14-10-6-13-15(7-10)8-11-4-2-3-5-18-11/h6-7,11H,2-5,8-9H2,1H3,(H,14,16)
InChIKeyCEGBIYFIUYBYBE-UHFFFAOYSA-N
XLogP1.04
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide
CID 121145145
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355562
2-(4-chlorophenoxy)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129354441
2-cyclopentylsulfanyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355659
1-methoxy-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 75393767
2-(2-fluorophenoxy)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129354491
2-(cyclopropylmethylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 60867277
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide
CID 129355488
4-amino-3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 103154783
2-(2-ethoxyphenoxy)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 56817971
3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145179

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide (CID 121145156) is 2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide is COCC(=O)Nc1cnn(CC2CCCCO2)c1.
What is the InChIKey of 2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide?
The InChIKey is CEGBIYFIUYBYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-17-9-12(16)14-10-6-13-15(7-10)8-11-4-2-3-5-18-11/h6-7,11H,2-5,8-9H2,1H3,(H,14,16).
What are the key properties of 2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide?
2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide has a molecular weight of 253.30 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 121145156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).