3-(butan-2-yloxymethyl)-1-propylpyrazole

C11H20N2O — CID 122170516

IUPAC3-(butan-2-yloxymethyl)-1-propylpyrazole
SMILESCCCn1ccc(COC(C)CC)n1
InChIInChI=1S/C11H20N2O/c1-4-7-13-8-6-11(12-13)9-14-10(3)5-2/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyQAEQJKLZKIZLCG-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.61
Rot. Bonds6

About 3-(butan-2-yloxymethyl)-1-propylpyrazole

3-(butan-2-yloxymethyl)-1-propylpyrazole (PubChem CID 122170516) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(butan-2-yloxymethyl)-1-propylpyrazole.

Molecular Properties

Compound Name3-(butan-2-yloxymethyl)-1-propylpyrazole
PubChem CID122170516
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-(butan-2-yloxymethyl)-1-propylpyrazole
SMILESCCCn1ccc(COC(C)CC)n1
InChIInChI=1S/C11H20N2O/c1-4-7-13-8-6-11(12-13)9-14-10(3)5-2/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyQAEQJKLZKIZLCG-UHFFFAOYSA-N
XLogP2.61
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(butan-2-yloxymethyl)-1-propylpyrazole 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-(propan-2-yloxymethyl)-1-propylpyrazole
CID 122170479
3-(methoxymethyl)-1-propylpyrazole
CID 66016916
1-(2-fluoroethyl)-3-(propan-2-yloxymethyl)pyrazole
CID 122170480
(1-propylpyrazol-3-yl)methanamine
CID 19576818
3-(bromomethyl)-1-propylpyrazole
CID 122165667
3-(bromomethyl)-1-propylpyrazole;hydrobromide
CID 126965597
3-butyl-1-propylpyrazole
CID 90936272
N-methyl-1-(1-propylpyrazol-3-yl)methanamine
CID 19620904
3-(methoxymethyl)-1-(3-methylbutyl)pyrazole
CID 66016329
2-methyl-N-[(1-propylpyrazol-3-yl)methyl]propan-1-amine;hydrochloride
CID 126968063
3-(butoxymethyl)-1-ethylpyrazole
CID 122170489
N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126966916

Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-yloxymethyl)-1-propylpyrazole?
The IUPAC name of 3-(butan-2-yloxymethyl)-1-propylpyrazole (CID 122170516) is 3-(butan-2-yloxymethyl)-1-propylpyrazole.
What is the SMILES notation for 3-(butan-2-yloxymethyl)-1-propylpyrazole?
The canonical SMILES for 3-(butan-2-yloxymethyl)-1-propylpyrazole is CCCn1ccc(COC(C)CC)n1.
What is the InChIKey of 3-(butan-2-yloxymethyl)-1-propylpyrazole?
The InChIKey is QAEQJKLZKIZLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-7-13-8-6-11(12-13)9-14-10(3)5-2/h6,8,10H,4-5,7,9H2,1-3H3.
What are the key properties of 3-(butan-2-yloxymethyl)-1-propylpyrazole?
3-(butan-2-yloxymethyl)-1-propylpyrazole has a molecular weight of 196.29 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-yloxymethyl)-1-propylpyrazole is sourced from PubChem (CID 122170516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).