5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol

C10H18N2O2 — CID 65091906

IUPAC5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol
SMILESCOCCCC(O)Cc1cnn(C)c1
InChIInChI=1S/C10H18N2O2/c1-12-8-9(7-11-12)6-10(13)4-3-5-14-2/h7-8,10,13H,3-6H2,1-2H3
InChIKeySGZOBCPOWULCEI-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.75
Rot. Bonds6

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

5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol (PubChem CID 65091906) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol.

Molecular Properties

Compound Name5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol
PubChem CID65091906
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol
SMILESCOCCCC(O)Cc1cnn(C)c1
InChIInChI=1S/C10H18N2O2/c1-12-8-9(7-11-12)6-10(13)4-3-5-14-2/h7-8,10,13H,3-6H2,1-2H3
InChIKeySGZOBCPOWULCEI-UHFFFAOYSA-N
XLogP0.75
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol
CID 105082767
1-methoxy-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 62127498
6-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
CID 103010409
6-chloro-1-(1-methylpyrazol-4-yl)hexan-3-ol
CID 103008236
5-methoxy-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 81084970
3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 64541540
1-(3,5-difluorophenyl)-5-methoxypentan-2-ol
CID 115601584
3-amino-5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116567370
1-cyclopropyl-1-ethoxy-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 116712818
1-(1-methylpyrazol-4-yl)tetradecan-3-ol
CID 103027779
2-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diol
CID 79450253
2-benzyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62725650

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol?
The IUPAC name of 5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol (CID 65091906) is 5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol.
What is the SMILES notation for 5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol?
The canonical SMILES for 5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol is COCCCC(O)Cc1cnn(C)c1.
What is the InChIKey of 5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol?
The InChIKey is SGZOBCPOWULCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-12-8-9(7-11-12)6-10(13)4-3-5-14-2/h7-8,10,13H,3-6H2,1-2H3.
What are the key properties of 5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol?
5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol has a molecular weight of 198.27 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol is sourced from PubChem (CID 65091906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).