3-(4-methylpentan-2-yloxy)-N-(1H-pyrazol-4-yl)propanamide

C12H21N3O2 — CID 71922141

IUPAC3-(4-methylpentan-2-yloxy)-N-(1H-pyrazol-4-yl)propanamide
SMILESCC(C)CC(C)OCCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C12H21N3O2/c1-9(2)6-10(3)17-5-4-12(16)15-11-7-13-14-8-11/h7-10H,4-6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyOUMIPTQLIHXVAF-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.19
Rot. Bonds7

About 3-(4-methylpentan-2-yloxy)-N-(1H-pyrazol-4-yl)propanamide

3-(4-methylpentan-2-yloxy)-N-(1H-pyrazol-4-yl)propanamide (PubChem CID 71922141) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(4-methylpentan-2-yloxy)-N-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(4-methylpentan-2-yloxy)-N-(1H-pyrazol-4-yl)propanamide
PubChem CID71922141
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-(4-methylpentan-2-yloxy)-N-(1H-pyrazol-4-yl)propanamide
SMILESCC(C)CC(C)OCCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C12H21N3O2/c1-9(2)6-10(3)17-5-4-12(16)15-11-7-13-14-8-11/h7-10H,4-6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyOUMIPTQLIHXVAF-UHFFFAOYSA-N
XLogP2.19
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylpentan-2-yloxy)-N-(1H-pyrazol-4-yl)propanamide 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 3-(4-methylpentan-2-yloxy)-N-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of 3-(4-methylpentan-2-yloxy)-N-(1H-pyrazol-4-yl)propanamide (CID 71922141) is 3-(4-methylpentan-2-yloxy)-N-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for 3-(4-methylpentan-2-yloxy)-N-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for 3-(4-methylpentan-2-yloxy)-N-(1H-pyrazol-4-yl)propanamide is CC(C)CC(C)OCCC(=O)Nc1cn[nH]c1.
What is the InChIKey of 3-(4-methylpentan-2-yloxy)-N-(1H-pyrazol-4-yl)propanamide?
The InChIKey is OUMIPTQLIHXVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)6-10(3)17-5-4-12(16)15-11-7-13-14-8-11/h7-10H,4-6H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 3-(4-methylpentan-2-yloxy)-N-(1H-pyrazol-4-yl)propanamide?
3-(4-methylpentan-2-yloxy)-N-(1H-pyrazol-4-yl)propanamide has a molecular weight of 239.32 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentan-2-yloxy)-N-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 71922141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).