N-(3-ethyl-2-hydroxypentyl)-2-(1H-pyrazol-5-yl)acetamide

C12H21N3O2 — CID 111477485

IUPACN-(3-ethyl-2-hydroxypentyl)-2-(1H-pyrazol-5-yl)acetamide
SMILESCCC(CC)C(O)CNC(=O)Cc1ccn[nH]1
InChIInChI=1S/C12H21N3O2/c1-3-9(4-2)11(16)8-13-12(17)7-10-5-6-14-15-10/h5-6,9,11,16H,3-4,7-8H2,1-2H3,(H,13,17)(H,14,15)
InChIKeySYEIUIUBNGEOMH-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.87
Rot. Bonds7

About N-(3-ethyl-2-hydroxypentyl)-2-(1H-pyrazol-5-yl)acetamide

N-(3-ethyl-2-hydroxypentyl)-2-(1H-pyrazol-5-yl)acetamide (PubChem CID 111477485) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-2-(1H-pyrazol-5-yl)acetamide
PubChem CID111477485
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-2-(1H-pyrazol-5-yl)acetamide
SMILESCCC(CC)C(O)CNC(=O)Cc1ccn[nH]1
InChIInChI=1S/C12H21N3O2/c1-3-9(4-2)11(16)8-13-12(17)7-10-5-6-14-15-10/h5-6,9,11,16H,3-4,7-8H2,1-2H3,(H,13,17)(H,14,15)
InChIKeySYEIUIUBNGEOMH-UHFFFAOYSA-N
XLogP0.87
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(3-ethyl-2-hydroxypentyl)-2-(1H-pyrazol-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-2-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-2-(1H-pyrazol-5-yl)acetamide (CID 111477485) is N-(3-ethyl-2-hydroxypentyl)-2-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-2-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-2-(1H-pyrazol-5-yl)acetamide is CCC(CC)C(O)CNC(=O)Cc1ccn[nH]1.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-2-(1H-pyrazol-5-yl)acetamide?
The InChIKey is SYEIUIUBNGEOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-9(4-2)11(16)8-13-12(17)7-10-5-6-14-15-10/h5-6,9,11,16H,3-4,7-8H2,1-2H3,(H,13,17)(H,14,15).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-2-(1H-pyrazol-5-yl)acetamide?
N-(3-ethyl-2-hydroxypentyl)-2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 239.32 g/mol, XLogP of 0.87, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 111477485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).