N-[(1-methylpyrazol-4-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylacetamide

C15H25N3O3 — CID 96539077

IUPACN-[(1-methylpyrazol-4-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1cnn(C)c1)C(=O)COC[C@H]1CCCO1
InChIInChI=1S/C15H25N3O3/c1-12(2)18(9-13-7-16-17(3)8-13)15(19)11-20-10-14-5-4-6-21-14/h7-8,12,14H,4-6,9-11H2,1-3H3/t14-/m1/s1
InChIKeyYSGPHOVPJRGSFI-CQSZACIVSA-N
MW295.38 g/mol
LogP1.35
Rot. Bonds7

About N-[(1-methylpyrazol-4-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylacetamide

N-[(1-methylpyrazol-4-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylacetamide (PubChem CID 96539077) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylacetamide
PubChem CID96539077
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1cnn(C)c1)C(=O)COC[C@H]1CCCO1
InChIInChI=1S/C15H25N3O3/c1-12(2)18(9-13-7-16-17(3)8-13)15(19)11-20-10-14-5-4-6-21-14/h7-8,12,14H,4-6,9-11H2,1-3H3/t14-/m1/s1
InChIKeyYSGPHOVPJRGSFI-CQSZACIVSA-N
XLogP1.35
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(1-methylpyrazol-4-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylacetamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylacetamide (CID 96539077) is N-[(1-methylpyrazol-4-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylacetamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylacetamide is CC(C)N(Cc1cnn(C)c1)C(=O)COC[C@H]1CCCO1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylacetamide?
The InChIKey is YSGPHOVPJRGSFI-CQSZACIVSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-12(2)18(9-13-7-16-17(3)8-13)15(19)11-20-10-14-5-4-6-21-14/h7-8,12,14H,4-6,9-11H2,1-3H3/t14-/m1/s1.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylacetamide?
N-[(1-methylpyrazol-4-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylacetamide has a molecular weight of 295.38 g/mol, XLogP of 1.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 96539077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).