N-(2-hydroxy-4-methylpentyl)-2-(1H-pyrazol-5-yl)acetamide

C11H19N3O2 — CID 103770935

IUPACN-(2-hydroxy-4-methylpentyl)-2-(1H-pyrazol-5-yl)acetamide
SMILESCC(C)CC(O)CNC(=O)Cc1ccn[nH]1
InChIInChI=1S/C11H19N3O2/c1-8(2)5-10(15)7-12-11(16)6-9-3-4-13-14-9/h3-4,8,10,15H,5-7H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyWBGBXDXVWXHAHK-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.48
Rot. Bonds6

About N-(2-hydroxy-4-methylpentyl)-2-(1H-pyrazol-5-yl)acetamide

N-(2-hydroxy-4-methylpentyl)-2-(1H-pyrazol-5-yl)acetamide (PubChem CID 103770935) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-2-(1H-pyrazol-5-yl)acetamide
PubChem CID103770935
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(2-hydroxy-4-methylpentyl)-2-(1H-pyrazol-5-yl)acetamide
SMILESCC(C)CC(O)CNC(=O)Cc1ccn[nH]1
InChIInChI=1S/C11H19N3O2/c1-8(2)5-10(15)7-12-11(16)6-9-3-4-13-14-9/h3-4,8,10,15H,5-7H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyWBGBXDXVWXHAHK-UHFFFAOYSA-N
XLogP0.48
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethyl-2-hydroxypentyl)-2-(1H-pyrazol-5-yl)acetamide
CID 111477485
N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)propanamide
CID 170982015
N-methyl-2-(1H-pyrazol-5-yl)acetamide
CID 79004016
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(1H-pyrazol-5-yl)acetamide
CID 111477462
2-(1H-pyrazol-5-yl)acetohydrazide
CID 4196186
N-tert-butyl-2-(1H-pyrazol-5-yl)acetamide
CID 79026363
N-(1H-imidazol-2-ylmethyl)-2-(1H-pyrazol-5-yl)acetamide
CID 79139019
2-(1H-pyrazol-5-yl)-N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]acetamide
CID 112528731
2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103770980
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)acetamide
CID 112528463
ethyl 3-[[2-(1H-pyrazol-5-yl)acetyl]amino]propanoate
CID 79040354
methyl 2-(1H-pyrazol-5-yl)acetate
CID 50989154

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-2-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-2-(1H-pyrazol-5-yl)acetamide (CID 103770935) is N-(2-hydroxy-4-methylpentyl)-2-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-2-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-2-(1H-pyrazol-5-yl)acetamide is CC(C)CC(O)CNC(=O)Cc1ccn[nH]1.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-2-(1H-pyrazol-5-yl)acetamide?
The InChIKey is WBGBXDXVWXHAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)5-10(15)7-12-11(16)6-9-3-4-13-14-9/h3-4,8,10,15H,5-7H2,1-2H3,(H,12,16)(H,13,14).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-2-(1H-pyrazol-5-yl)acetamide?
N-(2-hydroxy-4-methylpentyl)-2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 225.29 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 103770935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).