1-(3-methoxypropyl)-3-propan-2-ylpyrazole

C10H18N2O — CID 129255782

IUPAC1-(3-methoxypropyl)-3-propan-2-ylpyrazole
SMILESCOCCCn1ccc(C(C)C)n1
InChIInChI=1S/C10H18N2O/c1-9(2)10-5-7-12(11-10)6-4-8-13-3/h5,7,9H,4,6,8H2,1-3H3
InChIKeyUOMQLEHPFGXSCK-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.04
Rot. Bonds5

About 1-(3-methoxypropyl)-3-propan-2-ylpyrazole

1-(3-methoxypropyl)-3-propan-2-ylpyrazole (PubChem CID 129255782) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-propan-2-ylpyrazole
PubChem CID129255782
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(3-methoxypropyl)-3-propan-2-ylpyrazole
SMILESCOCCCn1ccc(C(C)C)n1
InChIInChI=1S/C10H18N2O/c1-9(2)10-5-7-12(11-10)6-4-8-13-3/h5,7,9H,4,6,8H2,1-3H3
InChIKeyUOMQLEHPFGXSCK-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-propan-2-ylpyrazole?
The IUPAC name of 1-(3-methoxypropyl)-3-propan-2-ylpyrazole (CID 129255782) is 1-(3-methoxypropyl)-3-propan-2-ylpyrazole.
What is the SMILES notation for 1-(3-methoxypropyl)-3-propan-2-ylpyrazole?
The canonical SMILES for 1-(3-methoxypropyl)-3-propan-2-ylpyrazole is COCCCn1ccc(C(C)C)n1.
What is the InChIKey of 1-(3-methoxypropyl)-3-propan-2-ylpyrazole?
The InChIKey is UOMQLEHPFGXSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(2)10-5-7-12(11-10)6-4-8-13-3/h5,7,9H,4,6,8H2,1-3H3.
What are the key properties of 1-(3-methoxypropyl)-3-propan-2-ylpyrazole?
1-(3-methoxypropyl)-3-propan-2-ylpyrazole has a molecular weight of 182.27 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-propan-2-ylpyrazole is sourced from PubChem (CID 129255782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).