2-methyl-7-(3-methylpyrazol-1-yl)octan-3-ol

C13H24N2O — CID 162418692

IUPAC2-methyl-7-(3-methylpyrazol-1-yl)octan-3-ol
SMILESCc1ccn(C(C)CCCC(O)C(C)C)n1
InChIInChI=1S/C13H24N2O/c1-10(2)13(16)7-5-6-12(4)15-9-8-11(3)14-15/h8-10,12-13,16H,5-7H2,1-4H3
InChIKeyZSUSCBWPWVSTQA-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.94
Rot. Bonds6

About 2-methyl-7-(3-methylpyrazol-1-yl)octan-3-ol

2-methyl-7-(3-methylpyrazol-1-yl)octan-3-ol (PubChem CID 162418692) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-methyl-7-(3-methylpyrazol-1-yl)octan-3-ol.

Molecular Properties

Compound Name2-methyl-7-(3-methylpyrazol-1-yl)octan-3-ol
PubChem CID162418692
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-methyl-7-(3-methylpyrazol-1-yl)octan-3-ol
SMILESCc1ccn(C(C)CCCC(O)C(C)C)n1
InChIInChI=1S/C13H24N2O/c1-10(2)13(16)7-5-6-12(4)15-9-8-11(3)14-15/h8-10,12-13,16H,5-7H2,1-4H3
InChIKeyZSUSCBWPWVSTQA-UHFFFAOYSA-N
XLogP2.94
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[3-(Difluoromethyl)pyrazol-1-yl]cyclohexyl]methanol
CID 175860279
4-Ethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 61770379
4-Methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 61771543
4-Propyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 61773296
3-[3-(Trifluoromethyl)pyrazol-1-yl]heptan-4-ol
CID 61773298
6-[3-(Trifluoromethyl)pyrazol-1-yl]hexan-2-ol
CID 61943813
4-Propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 62703763
2-[2-[3-(Trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentan-1-ol
CID 79564412
3-[3-(Trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 79618239
1-Cyclopentyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 103160367
1-(1-Butan-2-ylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312534
4,4,4-Trifluoro-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-ol
CID 103312535

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(3-methylpyrazol-1-yl)octan-3-ol?
The IUPAC name of 2-methyl-7-(3-methylpyrazol-1-yl)octan-3-ol (CID 162418692) is 2-methyl-7-(3-methylpyrazol-1-yl)octan-3-ol.
What is the SMILES notation for 2-methyl-7-(3-methylpyrazol-1-yl)octan-3-ol?
The canonical SMILES for 2-methyl-7-(3-methylpyrazol-1-yl)octan-3-ol is Cc1ccn(C(C)CCCC(O)C(C)C)n1.
What is the InChIKey of 2-methyl-7-(3-methylpyrazol-1-yl)octan-3-ol?
The InChIKey is ZSUSCBWPWVSTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(2)13(16)7-5-6-12(4)15-9-8-11(3)14-15/h8-10,12-13,16H,5-7H2,1-4H3.
What are the key properties of 2-methyl-7-(3-methylpyrazol-1-yl)octan-3-ol?
2-methyl-7-(3-methylpyrazol-1-yl)octan-3-ol has a molecular weight of 224.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(3-methylpyrazol-1-yl)octan-3-ol is sourced from PubChem (CID 162418692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).