2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-2-ol

C12H22N2O2 — CID 114637115

IUPAC2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-2-ol
SMILESCCCC(C)(O)c1c(OC)cnn1C(C)C
InChIInChI=1S/C12H22N2O2/c1-6-7-12(4,15)11-10(16-5)8-13-14(11)9(2)3/h8-9,15H,6-7H2,1-5H3
InChIKeyYFIPWGQAJGNDGQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.48
Rot. Bonds5

About 2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-2-ol

2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-2-ol (PubChem CID 114637115) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-2-ol.

Molecular Properties

Compound Name2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-2-ol
PubChem CID114637115
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-2-ol
SMILESCCCC(C)(O)c1c(OC)cnn1C(C)C
InChIInChI=1S/C12H22N2O2/c1-6-7-12(4,15)11-10(16-5)8-13-14(11)9(2)3/h8-9,15H,6-7H2,1-5H3
InChIKeyYFIPWGQAJGNDGQ-UHFFFAOYSA-N
XLogP2.48
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butanal
CID 114636600
2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-2-ol
CID 114637495
1-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol
CID 114633612
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
2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methoxybutan-2-ol
CID 114633767
2-(4-bromo-1-propan-2-ylpyrazol-5-yl)heptan-2-ol
CID 114637132
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-1-ol
CID 114635721
1-(2-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol
CID 114633450
4-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol
CID 114665922
4-amino-2-(1-ethyl-4-methoxypyrazol-5-yl)butan-2-ol
CID 114665909
2-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-2-ol
CID 114633592

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-2-ol?
The IUPAC name of 2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-2-ol (CID 114637115) is 2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-2-ol.
What is the SMILES notation for 2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-2-ol?
The canonical SMILES for 2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-2-ol is CCCC(C)(O)c1c(OC)cnn1C(C)C.
What is the InChIKey of 2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-2-ol?
The InChIKey is YFIPWGQAJGNDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-6-7-12(4,15)11-10(16-5)8-13-14(11)9(2)3/h8-9,15H,6-7H2,1-5H3.
What are the key properties of 2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-2-ol?
2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-2-ol has a molecular weight of 226.32 g/mol, XLogP of 2.48, 5 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)pentan-2-ol is sourced from PubChem (CID 114637115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).