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

C12H21N3O3 — CID 102977100

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide
SMILESCOCC(O)CCNC(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C12H21N3O3/c1-8-11(9(2)15-14-8)6-12(17)13-5-4-10(16)7-18-3/h10,16H,4-7H2,1-3H3,(H,13,17)(H,14,15)
InChIKeyPNVXUJRFVCTXCB-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.08
Rot. Bonds7

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

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide (PubChem CID 102977100) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide
PubChem CID102977100
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide
SMILESCOCC(O)CCNC(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C12H21N3O3/c1-8-11(9(2)15-14-8)6-12(17)13-5-4-10(16)7-18-3/h10,16H,4-7H2,1-3H3,(H,13,17)(H,14,15)
InChIKeyPNVXUJRFVCTXCB-UHFFFAOYSA-N
XLogP0.08
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]acetate
CID 43431213
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxypropyl)acetamide
CID 43501139
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 102977030
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4,4-dimethylpentyl)acetamide
CID 102977021
ethyl 4-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]butanoate
CID 60718057
4-hydroxy-N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 106248553
N-[2-(4-chlorophenyl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 20950837
2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82780288
N-(3-hydroxy-4-methoxybutyl)dodecanamide
CID 103876970
N-(3-hydroxy-4-methoxybutyl)octanamide
CID 103877091
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methyl-2-methylidenebut-3-enyl)acetamide;ethane
CID 143816495
N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 103877026

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide (CID 102977100) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide is COCC(O)CCNC(=O)Cc1c(C)n[nH]c1C.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide?
The InChIKey is PNVXUJRFVCTXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-8-11(9(2)15-14-8)6-12(17)13-5-4-10(16)7-18-3/h10,16H,4-7H2,1-3H3,(H,13,17)(H,14,15).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide has a molecular weight of 255.32 g/mol, XLogP of 0.08, 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-(3-hydroxy-4-methoxybutyl)acetamide is sourced from PubChem (CID 102977100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).