1-ethyl-3-methoxy-4-methyl-5-propan-2-ylpyrazole

C10H18N2O — CID 58720029

IUPAC1-ethyl-3-methoxy-4-methyl-5-propan-2-ylpyrazole
SMILESCCn1nc(OC)c(C)c1C(C)C
InChIInChI=1S/C10H18N2O/c1-6-12-9(7(2)3)8(4)10(11-12)13-5/h7H,6H2,1-5H3
InChIKeyOJSJRDXJDAWFNS-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.34
Rot. Bonds3

About 1-ethyl-3-methoxy-4-methyl-5-propan-2-ylpyrazole

1-ethyl-3-methoxy-4-methyl-5-propan-2-ylpyrazole (PubChem CID 58720029) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-ethyl-3-methoxy-4-methyl-5-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-ethyl-3-methoxy-4-methyl-5-propan-2-ylpyrazole
PubChem CID58720029
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-ethyl-3-methoxy-4-methyl-5-propan-2-ylpyrazole
SMILESCCn1nc(OC)c(C)c1C(C)C
InChIInChI=1S/C10H18N2O/c1-6-12-9(7(2)3)8(4)10(11-12)13-5/h7H,6H2,1-5H3
InChIKeyOJSJRDXJDAWFNS-UHFFFAOYSA-N
XLogP2.34
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methoxy-4-methyl-5-propan-2-ylpyrazole?
The IUPAC name of 1-ethyl-3-methoxy-4-methyl-5-propan-2-ylpyrazole (CID 58720029) is 1-ethyl-3-methoxy-4-methyl-5-propan-2-ylpyrazole.
What is the SMILES notation for 1-ethyl-3-methoxy-4-methyl-5-propan-2-ylpyrazole?
The canonical SMILES for 1-ethyl-3-methoxy-4-methyl-5-propan-2-ylpyrazole is CCn1nc(OC)c(C)c1C(C)C.
What is the InChIKey of 1-ethyl-3-methoxy-4-methyl-5-propan-2-ylpyrazole?
The InChIKey is OJSJRDXJDAWFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-6-12-9(7(2)3)8(4)10(11-12)13-5/h7H,6H2,1-5H3.
What are the key properties of 1-ethyl-3-methoxy-4-methyl-5-propan-2-ylpyrazole?
1-ethyl-3-methoxy-4-methyl-5-propan-2-ylpyrazole has a molecular weight of 182.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methoxy-4-methyl-5-propan-2-ylpyrazole is sourced from PubChem (CID 58720029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).