1-ethyl-4-(2-methylbutoxy)pyrazole

C10H18N2O — CID 116804469

IUPAC1-ethyl-4-(2-methylbutoxy)pyrazole
SMILESCCC(C)COc1cnn(CC)c1
InChIInChI=1S/C10H18N2O/c1-4-9(3)8-13-10-6-11-12(5-2)7-10/h6-7,9H,4-5,8H2,1-3H3
InChIKeyDRRXEPQBEDDMRP-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.33
Rot. Bonds5

About 1-ethyl-4-(2-methylbutoxy)pyrazole

1-ethyl-4-(2-methylbutoxy)pyrazole (PubChem CID 116804469) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-ethyl-4-(2-methylbutoxy)pyrazole.

Molecular Properties

Compound Name1-ethyl-4-(2-methylbutoxy)pyrazole
PubChem CID116804469
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-ethyl-4-(2-methylbutoxy)pyrazole
SMILESCCC(C)COc1cnn(CC)c1
InChIInChI=1S/C10H18N2O/c1-4-9(3)8-13-10-6-11-12(5-2)7-10/h6-7,9H,4-5,8H2,1-3H3
InChIKeyDRRXEPQBEDDMRP-UHFFFAOYSA-N
XLogP2.33
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-4-(2-methylbutoxy)pyrazole 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

N-ethyl-3-(1-ethylpyrazol-4-yl)oxy-2-methylpropan-1-amine
CID 103075164
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
2-methyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 103075179
1-ethyl-4-hexoxypyrazole
CID 116804751
4-(1-ethylpyrazol-4-yl)oxybutan-1-amine
CID 116800659
5-(1-ethylpyrazol-4-yl)oxy-N-propan-2-ylpentan-1-amine
CID 116803192
2-(1-ethylpyrazol-4-yl)oxy-N-pentan-3-ylacetamide
CID 116804587
2-(1-ethylpyrazol-4-yl)oxypropanenitrile
CID 116804628
2-(1-ethylpyrazol-4-yl)oxy-1-(3-methoxyphenyl)ethanol
CID 116802474
1-ethyl-4-[(2-methylpropan-2-yl)oxy]pyrazole
CID 117229710
1-ethyl-4-pent-4-enoxypyrazole
CID 116804504
4-(3-bromo-2,2-dimethylpropoxy)-1-ethylpyrazole
CID 116800878

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-methylbutoxy)pyrazole?
The IUPAC name of 1-ethyl-4-(2-methylbutoxy)pyrazole (CID 116804469) is 1-ethyl-4-(2-methylbutoxy)pyrazole.
What is the SMILES notation for 1-ethyl-4-(2-methylbutoxy)pyrazole?
The canonical SMILES for 1-ethyl-4-(2-methylbutoxy)pyrazole is CCC(C)COc1cnn(CC)c1.
What is the InChIKey of 1-ethyl-4-(2-methylbutoxy)pyrazole?
The InChIKey is DRRXEPQBEDDMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-9(3)8-13-10-6-11-12(5-2)7-10/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 1-ethyl-4-(2-methylbutoxy)pyrazole?
1-ethyl-4-(2-methylbutoxy)pyrazole has a molecular weight of 182.27 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-methylbutoxy)pyrazole is sourced from PubChem (CID 116804469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).