3-(4-methoxy-3-propan-2-yloxyphenyl)-1-propan-2-ylpyrazole

C16H22N2O2 — CID 122658507

IUPAC3-(4-methoxy-3-propan-2-yloxyphenyl)-1-propan-2-ylpyrazole
SMILESCOc1ccc(-c2ccn(C(C)C)n2)cc1OC(C)C
InChIInChI=1S/C16H22N2O2/c1-11(2)18-9-8-14(17-18)13-6-7-15(19-5)16(10-13)20-12(3)4/h6-12H,1-5H3
InChIKeyOLPHXDMHYPJMGU-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.93
Rot. Bonds5

About 3-(4-methoxy-3-propan-2-yloxyphenyl)-1-propan-2-ylpyrazole

3-(4-methoxy-3-propan-2-yloxyphenyl)-1-propan-2-ylpyrazole (PubChem CID 122658507) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(4-methoxy-3-propan-2-yloxyphenyl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3-(4-methoxy-3-propan-2-yloxyphenyl)-1-propan-2-ylpyrazole
PubChem CID122658507
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-(4-methoxy-3-propan-2-yloxyphenyl)-1-propan-2-ylpyrazole
SMILESCOc1ccc(-c2ccn(C(C)C)n2)cc1OC(C)C
InChIInChI=1S/C16H22N2O2/c1-11(2)18-9-8-14(17-18)13-6-7-15(19-5)16(10-13)20-12(3)4/h6-12H,1-5H3
InChIKeyOLPHXDMHYPJMGU-UHFFFAOYSA-N
XLogP3.93
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-4-(4-methoxy-3-propan-2-yloxyphenyl)-2-propan-2-yloxybenzene
CID 101106893
3-(4-fluoro-3-methylphenyl)-1-propan-2-ylpyrazole
CID 174113164
5-(1-propan-2-ylpyrazol-3-yl)-1H-indole
CID 71071918
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazole
CID 19552582
5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethoxy)benzenesulfonamide
CID 166275064
6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one
CID 7659900
4-(1-propan-2-ylpyrazol-3-yl)pyridin-2-amine
CID 146510649
(2S)-1-[3-[3-(3,4-dimethoxyphenyl)phenyl]pyrazol-1-yl]propan-2-ol
CID 29257356
6-(3,4-dimethoxyphenyl)-2-phenylpyridazin-3-one
CID 56850592
4-fluoro-1-methoxy-2-propan-2-yloxybenzene
CID 126993061
4-methoxy-3-propan-2-yloxyaniline
CID 16785912
6-(3,4-dimethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile
CID 82444439

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-propan-2-yloxyphenyl)-1-propan-2-ylpyrazole?
The IUPAC name of 3-(4-methoxy-3-propan-2-yloxyphenyl)-1-propan-2-ylpyrazole (CID 122658507) is 3-(4-methoxy-3-propan-2-yloxyphenyl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 3-(4-methoxy-3-propan-2-yloxyphenyl)-1-propan-2-ylpyrazole?
The canonical SMILES for 3-(4-methoxy-3-propan-2-yloxyphenyl)-1-propan-2-ylpyrazole is COc1ccc(-c2ccn(C(C)C)n2)cc1OC(C)C.
What is the InChIKey of 3-(4-methoxy-3-propan-2-yloxyphenyl)-1-propan-2-ylpyrazole?
The InChIKey is OLPHXDMHYPJMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)18-9-8-14(17-18)13-6-7-15(19-5)16(10-13)20-12(3)4/h6-12H,1-5H3.
What are the key properties of 3-(4-methoxy-3-propan-2-yloxyphenyl)-1-propan-2-ylpyrazole?
3-(4-methoxy-3-propan-2-yloxyphenyl)-1-propan-2-ylpyrazole has a molecular weight of 274.36 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-propan-2-yloxyphenyl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 122658507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).