1-(1-methoxybutan-2-yl)-4-propan-2-ylpyrazole

C11H20N2O — CID 170273341

IUPAC1-(1-methoxybutan-2-yl)-4-propan-2-ylpyrazole
SMILESCCC(COC)n1cc(C(C)C)cn1
InChIInChI=1S/C11H20N2O/c1-5-11(8-14-4)13-7-10(6-12-13)9(2)3/h6-7,9,11H,5,8H2,1-4H3
InChIKeyANDFVKQTGXRFOO-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.60
Rot. Bonds5

About 1-(1-methoxybutan-2-yl)-4-propan-2-ylpyrazole

1-(1-methoxybutan-2-yl)-4-propan-2-ylpyrazole (PubChem CID 170273341) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(1-methoxybutan-2-yl)-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-(1-methoxybutan-2-yl)-4-propan-2-ylpyrazole
PubChem CID170273341
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(1-methoxybutan-2-yl)-4-propan-2-ylpyrazole
SMILESCCC(COC)n1cc(C(C)C)cn1
InChIInChI=1S/C11H20N2O/c1-5-11(8-14-4)13-7-10(6-12-13)9(2)3/h6-7,9,11H,5,8H2,1-4H3
InChIKeyANDFVKQTGXRFOO-UHFFFAOYSA-N
XLogP2.60
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxybutan-2-yl)-4-propan-2-ylpyrazole?
The IUPAC name of 1-(1-methoxybutan-2-yl)-4-propan-2-ylpyrazole (CID 170273341) is 1-(1-methoxybutan-2-yl)-4-propan-2-ylpyrazole.
What is the SMILES notation for 1-(1-methoxybutan-2-yl)-4-propan-2-ylpyrazole?
The canonical SMILES for 1-(1-methoxybutan-2-yl)-4-propan-2-ylpyrazole is CCC(COC)n1cc(C(C)C)cn1.
What is the InChIKey of 1-(1-methoxybutan-2-yl)-4-propan-2-ylpyrazole?
The InChIKey is ANDFVKQTGXRFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-11(8-14-4)13-7-10(6-12-13)9(2)3/h6-7,9,11H,5,8H2,1-4H3.
What are the key properties of 1-(1-methoxybutan-2-yl)-4-propan-2-ylpyrazole?
1-(1-methoxybutan-2-yl)-4-propan-2-ylpyrazole has a molecular weight of 196.29 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxybutan-2-yl)-4-propan-2-ylpyrazole is sourced from PubChem (CID 170273341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).