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

C14H25N3O2 — CID 102977021

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4,4-dimethylpentyl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C14H25N3O2/c1-9-12(10(2)17-16-9)6-13(19)15-8-11(18)7-14(3,4)5/h11,18H,6-8H2,1-5H3,(H,15,19)(H,16,17)
InChIKeyNTVGAODIXMEVBR-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.48
Rot. Bonds5

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

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4,4-dimethylpentyl)acetamide (PubChem CID 102977021) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4,4-dimethylpentyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4,4-dimethylpentyl)acetamide
PubChem CID102977021
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4,4-dimethylpentyl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C14H25N3O2/c1-9-12(10(2)17-16-9)6-13(19)15-8-11(18)7-14(3,4)5/h11,18H,6-8H2,1-5H3,(H,15,19)(H,16,17)
InChIKeyNTVGAODIXMEVBR-UHFFFAOYSA-N
XLogP1.48
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxypropyl)acetamide
CID 43501139
methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]acetate
CID 43431213
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 102977100
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 74250251
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-(3-methyl-2-methylidenebut-3-enyl)acetamide;ethane
CID 143816495
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64532408
4-[[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]methyl]benzoic acid
CID 43171937
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxycyclobutyl)methyl]acetamide
CID 66006897
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362374
N-(2-hydroxy-4,4-dimethylpentyl)-4,4-dimethylpentanamide
CID 113239541
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 55259828

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4,4-dimethylpentyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4,4-dimethylpentyl)acetamide (CID 102977021) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4,4-dimethylpentyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4,4-dimethylpentyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4,4-dimethylpentyl)acetamide is Cc1n[nH]c(C)c1CC(=O)NCC(O)CC(C)(C)C.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4,4-dimethylpentyl)acetamide?
The InChIKey is NTVGAODIXMEVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-9-12(10(2)17-16-9)6-13(19)15-8-11(18)7-14(3,4)5/h11,18H,6-8H2,1-5H3,(H,15,19)(H,16,17).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4,4-dimethylpentyl)acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4,4-dimethylpentyl)acetamide has a molecular weight of 267.37 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 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-hydroxy-4,4-dimethylpentyl)acetamide is sourced from PubChem (CID 102977021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).