2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide

C13H23N3O3 — CID 102977030

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
SMILESCOCCC(C)(O)CNC(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C13H23N3O3/c1-9-11(10(2)16-15-9)7-12(17)14-8-13(3,18)5-6-19-4/h18H,5-8H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyJCJRKZQYUCKEBI-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.47
Rot. Bonds7

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide (PubChem CID 102977030) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
PubChem CID102977030
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
SMILESCOCCC(C)(O)CNC(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C13H23N3O3/c1-9-11(10(2)16-15-9)7-12(17)14-8-13(3,18)5-6-19-4/h18H,5-8H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyJCJRKZQYUCKEBI-UHFFFAOYSA-N
XLogP0.47
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 118740021
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 70740924
N-[2-(3,5-Dimethyl-1H-pyrazol-4-YL)ethyl]-2-hydroxy-N,4-dimethylpentanamide
CID 77090336
trans-1-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-ethoxypyrrolidin-3-ol
CID 91777202
(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(hexanoylamino)acetic acid
CID 95207706
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-(3-hydroxycyclobutyl)propyl]acetamide
CID 100098334
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 121523542
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]acetamide
CID 121523694
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[rac-(3S,4R)-4-ethoxytetrahydrofuran-3-yl]acetamide
CID 122569412
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 164640998
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 102977065
N-(2,2-difluoroethyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide
CID 107482654

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide (CID 102977030) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide is COCCC(C)(O)CNC(=O)Cc1c(C)n[nH]c1C.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide?
The InChIKey is JCJRKZQYUCKEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-9-11(10(2)16-15-9)7-12(17)14-8-13(3,18)5-6-19-4/h18H,5-8H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide has a molecular weight of 269.34 g/mol, XLogP of 0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide is sourced from PubChem (CID 102977030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).