1-methyl-4-[2-(2-methyl-4,5-dimethylideneoxolan-2-yl)phenyl]pyrazole

C17H18N2O — CID 178146839

IUPAC1-methyl-4-[2-(2-methyl-4,5-dimethylideneoxolan-2-yl)phenyl]pyrazole
SMILESC=C1CC(C)(c2ccccc2-c2cnn(C)c2)OC1=C
InChIInChI=1S/C17H18N2O/c1-12-9-17(3,20-13(12)2)16-8-6-5-7-15(16)14-10-18-19(4)11-14/h5-8,10-11H,1-2,9H2,3-4H3
InChIKeyWWQPKBMBTGMDKB-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.79
Rot. Bonds2

About 1-methyl-4-[2-(2-methyl-4,5-dimethylideneoxolan-2-yl)phenyl]pyrazole

1-methyl-4-[2-(2-methyl-4,5-dimethylideneoxolan-2-yl)phenyl]pyrazole (PubChem CID 178146839) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-methyl-4-[2-(2-methyl-4,5-dimethylideneoxolan-2-yl)phenyl]pyrazole.

Molecular Properties

Compound Name1-methyl-4-[2-(2-methyl-4,5-dimethylideneoxolan-2-yl)phenyl]pyrazole
PubChem CID178146839
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-methyl-4-[2-(2-methyl-4,5-dimethylideneoxolan-2-yl)phenyl]pyrazole
SMILESC=C1CC(C)(c2ccccc2-c2cnn(C)c2)OC1=C
InChIInChI=1S/C17H18N2O/c1-12-9-17(3,20-13(12)2)16-8-6-5-7-15(16)14-10-18-19(4)11-14/h5-8,10-11H,1-2,9H2,3-4H3
InChIKeyWWQPKBMBTGMDKB-UHFFFAOYSA-N
XLogP3.79
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(2-methyl-4,5-dimethylideneoxolan-2-yl)phenyl]pyrazole?
The IUPAC name of 1-methyl-4-[2-(2-methyl-4,5-dimethylideneoxolan-2-yl)phenyl]pyrazole (CID 178146839) is 1-methyl-4-[2-(2-methyl-4,5-dimethylideneoxolan-2-yl)phenyl]pyrazole.
What is the SMILES notation for 1-methyl-4-[2-(2-methyl-4,5-dimethylideneoxolan-2-yl)phenyl]pyrazole?
The canonical SMILES for 1-methyl-4-[2-(2-methyl-4,5-dimethylideneoxolan-2-yl)phenyl]pyrazole is C=C1CC(C)(c2ccccc2-c2cnn(C)c2)OC1=C.
What is the InChIKey of 1-methyl-4-[2-(2-methyl-4,5-dimethylideneoxolan-2-yl)phenyl]pyrazole?
The InChIKey is WWQPKBMBTGMDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-9-17(3,20-13(12)2)16-8-6-5-7-15(16)14-10-18-19(4)11-14/h5-8,10-11H,1-2,9H2,3-4H3.
What are the key properties of 1-methyl-4-[2-(2-methyl-4,5-dimethylideneoxolan-2-yl)phenyl]pyrazole?
1-methyl-4-[2-(2-methyl-4,5-dimethylideneoxolan-2-yl)phenyl]pyrazole has a molecular weight of 266.34 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(2-methyl-4,5-dimethylideneoxolan-2-yl)phenyl]pyrazole is sourced from PubChem (CID 178146839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).