3-(butoxymethyl)-1-ethylpyrazole

C10H18N2O — CID 122170489

IUPAC3-(butoxymethyl)-1-ethylpyrazole
SMILESCCCCOCc1ccn(CC)n1
InChIInChI=1S/C10H18N2O/c1-3-5-8-13-9-10-6-7-12(4-2)11-10/h6-7H,3-5,8-9H2,1-2H3
InChIKeyKTKKDLONBDJYQU-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.22
Rot. Bonds6

About 3-(butoxymethyl)-1-ethylpyrazole

3-(butoxymethyl)-1-ethylpyrazole (PubChem CID 122170489) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-(butoxymethyl)-1-ethylpyrazole.

Molecular Properties

Compound Name3-(butoxymethyl)-1-ethylpyrazole
PubChem CID122170489
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-(butoxymethyl)-1-ethylpyrazole
SMILESCCCCOCc1ccn(CC)n1
InChIInChI=1S/C10H18N2O/c1-3-5-8-13-9-10-6-7-12(4-2)11-10/h6-7H,3-5,8-9H2,1-2H3
InChIKeyKTKKDLONBDJYQU-UHFFFAOYSA-N
XLogP2.22
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(butoxymethyl)-1-ethylpyrazole with MolForge

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

Launch Full Analysis

Related Compounds

3-(butoxymethyl)-1-methylpyrazole
CID 122170488
1-ethyl-3-(3,3,3-trifluoropropoxymethyl)pyrazole
CID 122171870
3-(1-ethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 105433576
N-[(1-ethylpyrazol-3-yl)methyl]pentan-1-amine;hydrochloride
CID 126968027
3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]propan-1-amine
CID 64783227
2-(butoxymethyl)pyrazine
CID 54527818
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-iodopyrazole
CID 104568890
3-butyl-1-propylpyrazole
CID 90936272
3-(propan-2-yloxymethyl)-1-propylpyrazole
CID 122170479
3-(butan-2-yloxymethyl)-1-propylpyrazole
CID 122170516
N-[[1-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 65178499
2-(1-ethylpyrazol-3-yl)acetamide
CID 130626486

Frequently Asked Questions

What is the IUPAC name of 3-(butoxymethyl)-1-ethylpyrazole?
The IUPAC name of 3-(butoxymethyl)-1-ethylpyrazole (CID 122170489) is 3-(butoxymethyl)-1-ethylpyrazole.
What is the SMILES notation for 3-(butoxymethyl)-1-ethylpyrazole?
The canonical SMILES for 3-(butoxymethyl)-1-ethylpyrazole is CCCCOCc1ccn(CC)n1.
What is the InChIKey of 3-(butoxymethyl)-1-ethylpyrazole?
The InChIKey is KTKKDLONBDJYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-5-8-13-9-10-6-7-12(4-2)11-10/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of 3-(butoxymethyl)-1-ethylpyrazole?
3-(butoxymethyl)-1-ethylpyrazole has a molecular weight of 182.27 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butoxymethyl)-1-ethylpyrazole is sourced from PubChem (CID 122170489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).