2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-2-ol

C13H24N2O2 — CID 114637495

IUPAC2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-2-ol
SMILESCOc1cnn(C(C)C)c1C(C)(O)C(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-9(2)15-11(10(17-7)8-14-15)13(6,16)12(3,4)5/h8-9,16H,1-7H3
InChIKeyMCKFHCKBJKUTFX-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.73
Rot. Bonds3

About 2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-2-ol

2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-2-ol (PubChem CID 114637495) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-2-ol
PubChem CID114637495
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-2-ol
SMILESCOc1cnn(C(C)C)c1C(C)(O)C(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-9(2)15-11(10(17-7)8-14-15)13(6,16)12(3,4)5/h8-9,16H,1-7H3
InChIKeyMCKFHCKBJKUTFX-UHFFFAOYSA-N
XLogP2.73
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-2-ol
CID 114637115
1-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol
CID 114633612
3-hydroxy-3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butanal
CID 114636600
4-[1-hydroxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]phenol
CID 114637997
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-1-(4-methylphenyl)ethanol
CID 114633338
1-(2-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol
CID 114633450
2-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-2-ol
CID 114633592
4-methoxy-5-methyl-1-propan-2-ylpyrazole
CID 149332345
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-1-ol
CID 114635721
2-(4-methyl-1-propan-2-ylpyrazol-5-yl)propan-2-ol
CID 115016266
5-tert-butyl-4-(difluoromethoxy)-1-propan-2-ylpyrazole
CID 168841686
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
CID 114638172

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-2-ol (CID 114637495) is 2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-2-ol is COc1cnn(C(C)C)c1C(C)(O)C(C)(C)C.
What is the InChIKey of 2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-2-ol?
The InChIKey is MCKFHCKBJKUTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(2)15-11(10(17-7)8-14-15)13(6,16)12(3,4)5/h8-9,16H,1-7H3.
What are the key properties of 2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-2-ol?
2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-2-ol has a molecular weight of 240.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 114637495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).