1-(2-methoxyethyl)-4-(2-methylpropyl)pyrazole

C10H18N2O — CID 118345076

IUPAC1-(2-methoxyethyl)-4-(2-methylpropyl)pyrazole
SMILESCOCCn1cc(CC(C)C)cn1
InChIInChI=1S/C10H18N2O/c1-9(2)6-10-7-11-12(8-10)4-5-13-3/h7-9H,4-6H2,1-3H3
InChIKeyZXXZMJVXRZSRQU-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.73
Rot. Bonds5

About 1-(2-methoxyethyl)-4-(2-methylpropyl)pyrazole

1-(2-methoxyethyl)-4-(2-methylpropyl)pyrazole (PubChem CID 118345076) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-(2-methylpropyl)pyrazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-(2-methylpropyl)pyrazole
PubChem CID118345076
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(2-methoxyethyl)-4-(2-methylpropyl)pyrazole
SMILESCOCCn1cc(CC(C)C)cn1
InChIInChI=1S/C10H18N2O/c1-9(2)6-10-7-11-12(8-10)4-5-13-3/h7-9H,4-6H2,1-3H3
InChIKeyZXXZMJVXRZSRQU-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-(2-methylpropyl)pyrazole?
The IUPAC name of 1-(2-methoxyethyl)-4-(2-methylpropyl)pyrazole (CID 118345076) is 1-(2-methoxyethyl)-4-(2-methylpropyl)pyrazole.
What is the SMILES notation for 1-(2-methoxyethyl)-4-(2-methylpropyl)pyrazole?
The canonical SMILES for 1-(2-methoxyethyl)-4-(2-methylpropyl)pyrazole is COCCn1cc(CC(C)C)cn1.
What is the InChIKey of 1-(2-methoxyethyl)-4-(2-methylpropyl)pyrazole?
The InChIKey is ZXXZMJVXRZSRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(2)6-10-7-11-12(8-10)4-5-13-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-4-(2-methylpropyl)pyrazole?
1-(2-methoxyethyl)-4-(2-methylpropyl)pyrazole has a molecular weight of 182.27 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-(2-methylpropyl)pyrazole is sourced from PubChem (CID 118345076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).