5-(2-methoxy-4-propan-2-ylphenyl)-1,3-dimethylpyrazole

C15H20N2O — CID 116856768

IUPAC5-(2-methoxy-4-propan-2-ylphenyl)-1,3-dimethylpyrazole
SMILESCOc1cc(C(C)C)ccc1-c1cc(C)nn1C
InChIInChI=1S/C15H20N2O/c1-10(2)12-6-7-13(15(9-12)18-5)14-8-11(3)16-17(14)4/h6-10H,1-5H3
InChIKeyIQPAAOIKIPNAED-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.53
Rot. Bonds3

About 5-(2-methoxy-4-propan-2-ylphenyl)-1,3-dimethylpyrazole

5-(2-methoxy-4-propan-2-ylphenyl)-1,3-dimethylpyrazole (PubChem CID 116856768) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-(2-methoxy-4-propan-2-ylphenyl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-(2-methoxy-4-propan-2-ylphenyl)-1,3-dimethylpyrazole
PubChem CID116856768
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-(2-methoxy-4-propan-2-ylphenyl)-1,3-dimethylpyrazole
SMILESCOc1cc(C(C)C)ccc1-c1cc(C)nn1C
InChIInChI=1S/C15H20N2O/c1-10(2)12-6-7-13(15(9-12)18-5)14-8-11(3)16-17(14)4/h6-10H,1-5H3
InChIKeyIQPAAOIKIPNAED-UHFFFAOYSA-N
XLogP3.53
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,5-dimethoxy-3,4-dimethylphenyl)-1,3-dimethylpyrazole
CID 116856836
4-(2-methoxy-4-propan-2-ylphenyl)-6-methylpyrimidin-2-amine
CID 82300071
5-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 116869119
6-(2-methoxy-4-propan-2-ylphenyl)imidazo[1,2-b]pyridazine
CID 116854271
4-(2-methoxy-4-propan-2-ylphenyl)imidazole-1,2-diamine
CID 82295339
3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 170591096
2-(2-methoxy-4-propan-2-ylphenyl)-4-methyl-1,3-thiazol-5-amine
CID 116864511
5-(2-methoxy-4-propan-2-ylphenyl)-4-methyl-1,3-oxazol-2-amine
CID 116831725
4-methoxy-6-propan-2-ylazulene
CID 56627743
3-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1,2-thiazole
CID 67807977
6-(2-methoxy-4-propan-2-ylphenyl)-N-methylpyridazin-3-amine
CID 82483067
3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole-5-carbaldehyde
CID 84761434

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4-propan-2-ylphenyl)-1,3-dimethylpyrazole?
The IUPAC name of 5-(2-methoxy-4-propan-2-ylphenyl)-1,3-dimethylpyrazole (CID 116856768) is 5-(2-methoxy-4-propan-2-ylphenyl)-1,3-dimethylpyrazole.
What is the SMILES notation for 5-(2-methoxy-4-propan-2-ylphenyl)-1,3-dimethylpyrazole?
The canonical SMILES for 5-(2-methoxy-4-propan-2-ylphenyl)-1,3-dimethylpyrazole is COc1cc(C(C)C)ccc1-c1cc(C)nn1C.
What is the InChIKey of 5-(2-methoxy-4-propan-2-ylphenyl)-1,3-dimethylpyrazole?
The InChIKey is IQPAAOIKIPNAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10(2)12-6-7-13(15(9-12)18-5)14-8-11(3)16-17(14)4/h6-10H,1-5H3.
What are the key properties of 5-(2-methoxy-4-propan-2-ylphenyl)-1,3-dimethylpyrazole?
5-(2-methoxy-4-propan-2-ylphenyl)-1,3-dimethylpyrazole has a molecular weight of 244.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-4-propan-2-ylphenyl)-1,3-dimethylpyrazole is sourced from PubChem (CID 116856768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).