1-(2-methoxyethyl)-3,5-dimethyl-4-(3-propan-2-ylphenyl)pyrazole

C17H24N2O — CID 155969665

IUPAC1-(2-methoxyethyl)-3,5-dimethyl-4-(3-propan-2-ylphenyl)pyrazole
SMILESCOCCn1nc(C)c(-c2cccc(C(C)C)c2)c1C
InChIInChI=1S/C17H24N2O/c1-12(2)15-7-6-8-16(11-15)17-13(3)18-19(14(17)4)9-10-20-5/h6-8,11-12H,9-10H2,1-5H3
InChIKeyYWCFMEUPHPDLTE-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.94
Rot. Bonds5

About 1-(2-methoxyethyl)-3,5-dimethyl-4-(3-propan-2-ylphenyl)pyrazole

1-(2-methoxyethyl)-3,5-dimethyl-4-(3-propan-2-ylphenyl)pyrazole (PubChem CID 155969665) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3,5-dimethyl-4-(3-propan-2-ylphenyl)pyrazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3,5-dimethyl-4-(3-propan-2-ylphenyl)pyrazole
PubChem CID155969665
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(2-methoxyethyl)-3,5-dimethyl-4-(3-propan-2-ylphenyl)pyrazole
SMILESCOCCn1nc(C)c(-c2cccc(C(C)C)c2)c1C
InChIInChI=1S/C17H24N2O/c1-12(2)15-7-6-8-16(11-15)17-13(3)18-19(14(17)4)9-10-20-5/h6-8,11-12H,9-10H2,1-5H3
InChIKeyYWCFMEUPHPDLTE-UHFFFAOYSA-N
XLogP3.94
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3,5-dimethyl-4-(3-propan-2-ylphenyl)pyrazole?
The IUPAC name of 1-(2-methoxyethyl)-3,5-dimethyl-4-(3-propan-2-ylphenyl)pyrazole (CID 155969665) is 1-(2-methoxyethyl)-3,5-dimethyl-4-(3-propan-2-ylphenyl)pyrazole.
What is the SMILES notation for 1-(2-methoxyethyl)-3,5-dimethyl-4-(3-propan-2-ylphenyl)pyrazole?
The canonical SMILES for 1-(2-methoxyethyl)-3,5-dimethyl-4-(3-propan-2-ylphenyl)pyrazole is COCCn1nc(C)c(-c2cccc(C(C)C)c2)c1C.
What is the InChIKey of 1-(2-methoxyethyl)-3,5-dimethyl-4-(3-propan-2-ylphenyl)pyrazole?
The InChIKey is YWCFMEUPHPDLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12(2)15-7-6-8-16(11-15)17-13(3)18-19(14(17)4)9-10-20-5/h6-8,11-12H,9-10H2,1-5H3.
What are the key properties of 1-(2-methoxyethyl)-3,5-dimethyl-4-(3-propan-2-ylphenyl)pyrazole?
1-(2-methoxyethyl)-3,5-dimethyl-4-(3-propan-2-ylphenyl)pyrazole has a molecular weight of 272.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3,5-dimethyl-4-(3-propan-2-ylphenyl)pyrazole is sourced from PubChem (CID 155969665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).