2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide

C20H27N3O2 — CID 74246165

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccccc1CN(CC1CCCO1)C(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C20H27N3O2/c1-14-7-4-5-8-17(14)12-23(13-18-9-6-10-25-18)20(24)11-19-15(2)21-22-16(19)3/h4-5,7-8,18H,6,9-13H2,1-3H3,(H,21,22)
InChIKeyWEGFGNFJGUVCRC-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.09
Rot. Bonds6

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 74246165) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID74246165
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccccc1CN(CC1CCCO1)C(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C20H27N3O2/c1-14-7-4-5-8-17(14)12-23(13-18-9-6-10-25-18)20(24)11-19-15(2)21-22-16(19)3/h4-5,7-8,18H,6,9-13H2,1-3H3,(H,21,22)
InChIKeyWEGFGNFJGUVCRC-UHFFFAOYSA-N
XLogP3.09
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 164640998
N-[(2-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 52519504
N-[(2-methylphenyl)methyl]-2-(3-oxo-1H-indazol-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 74248985
2-methoxy-6-methyl-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 131930751
N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 131897549
N-[(2-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 99948704
N-[(2-hydroxyphenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 60520041
N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-2-phenoxyacetamide
CID 60520005
N-[2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 78798898
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 3151688
N-[(2-hydroxyphenyl)methyl]-2,3-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 60520023
N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-phenoxyacetamide
CID 19120015

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide (CID 74246165) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide is Cc1ccccc1CN(CC1CCCO1)C(=O)Cc1c(C)n[nH]c1C.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is WEGFGNFJGUVCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14-7-4-5-8-17(14)12-23(13-18-9-6-10-25-18)20(24)11-19-15(2)21-22-16(19)3/h4-5,7-8,18H,6,9-13H2,1-3H3,(H,21,22).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 341.46 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 74246165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).