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

C10H18N2O — CID 122170479

IUPAC3-(propan-2-yloxymethyl)-1-propylpyrazole
SMILESCCCn1ccc(COC(C)C)n1
InChIInChI=1S/C10H18N2O/c1-4-6-12-7-5-10(11-12)8-13-9(2)3/h5,7,9H,4,6,8H2,1-3H3
InChIKeyDYLPZAMQXJRVIL-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.22
Rot. Bonds5

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

3-(propan-2-yloxymethyl)-1-propylpyrazole (PubChem CID 122170479) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-(propan-2-yloxymethyl)-1-propylpyrazole.

Molecular Properties

Compound Name3-(propan-2-yloxymethyl)-1-propylpyrazole
PubChem CID122170479
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-(propan-2-yloxymethyl)-1-propylpyrazole
SMILESCCCn1ccc(COC(C)C)n1
InChIInChI=1S/C10H18N2O/c1-4-6-12-7-5-10(11-12)8-13-9(2)3/h5,7,9H,4,6,8H2,1-3H3
InChIKeyDYLPZAMQXJRVIL-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(butan-2-yloxymethyl)-1-propylpyrazole
CID 122170516
1-(2-fluoroethyl)-3-(propan-2-yloxymethyl)pyrazole
CID 122170480
3-(methoxymethyl)-1-propylpyrazole
CID 66016916
(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
3-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazole
CID 112605961

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-yloxymethyl)-1-propylpyrazole?
The IUPAC name of 3-(propan-2-yloxymethyl)-1-propylpyrazole (CID 122170479) is 3-(propan-2-yloxymethyl)-1-propylpyrazole.
What is the SMILES notation for 3-(propan-2-yloxymethyl)-1-propylpyrazole?
The canonical SMILES for 3-(propan-2-yloxymethyl)-1-propylpyrazole is CCCn1ccc(COC(C)C)n1.
What is the InChIKey of 3-(propan-2-yloxymethyl)-1-propylpyrazole?
The InChIKey is DYLPZAMQXJRVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-6-12-7-5-10(11-12)8-13-9(2)3/h5,7,9H,4,6,8H2,1-3H3.
What are the key properties of 3-(propan-2-yloxymethyl)-1-propylpyrazole?
3-(propan-2-yloxymethyl)-1-propylpyrazole has a molecular weight of 182.27 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-yloxymethyl)-1-propylpyrazole is sourced from PubChem (CID 122170479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).