8-(2-methylpyrazol-3-yl)octan-4-ol

C12H22N2O — CID 103016003

IUPAC8-(2-methylpyrazol-3-yl)octan-4-ol
SMILESCCCC(O)CCCCc1ccnn1C
InChIInChI=1S/C12H22N2O/c1-3-6-12(15)8-5-4-7-11-9-10-13-14(11)2/h9-10,12,15H,3-8H2,1-2H3
InChIKeyALHAHCDNWSTZMA-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.29
Rot. Bonds7

About 8-(2-methylpyrazol-3-yl)octan-4-ol

8-(2-methylpyrazol-3-yl)octan-4-ol (PubChem CID 103016003) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 8-(2-methylpyrazol-3-yl)octan-4-ol.

Molecular Properties

Compound Name8-(2-methylpyrazol-3-yl)octan-4-ol
PubChem CID103016003
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name8-(2-methylpyrazol-3-yl)octan-4-ol
SMILESCCCC(O)CCCCc1ccnn1C
InChIInChI=1S/C12H22N2O/c1-3-6-12(15)8-5-4-7-11-9-10-13-14(11)2/h9-10,12,15H,3-8H2,1-2H3
InChIKeyALHAHCDNWSTZMA-UHFFFAOYSA-N
XLogP2.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2-methylpyrazol-3-yl)hexane-1,4-diol
CID 106677975
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
6-ethoxy-1-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103028081
2-methyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103013814
2,2-dimethyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103013811
1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643
5-(5-bromo-6,6-dimethylheptyl)-1-methylpyrazole
CID 103016073
5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol
CID 103028111
5-(2-methylpyrazol-3-yl)pentan-2-amine
CID 103004310
4-methoxy-1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 103008347
N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-2-amine
CID 104695080
8-(1-methylimidazol-2-yl)octan-4-ol
CID 114532164

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylpyrazol-3-yl)octan-4-ol?
The IUPAC name of 8-(2-methylpyrazol-3-yl)octan-4-ol (CID 103016003) is 8-(2-methylpyrazol-3-yl)octan-4-ol.
What is the SMILES notation for 8-(2-methylpyrazol-3-yl)octan-4-ol?
The canonical SMILES for 8-(2-methylpyrazol-3-yl)octan-4-ol is CCCC(O)CCCCc1ccnn1C.
What is the InChIKey of 8-(2-methylpyrazol-3-yl)octan-4-ol?
The InChIKey is ALHAHCDNWSTZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-6-12(15)8-5-4-7-11-9-10-13-14(11)2/h9-10,12,15H,3-8H2,1-2H3.
What are the key properties of 8-(2-methylpyrazol-3-yl)octan-4-ol?
8-(2-methylpyrazol-3-yl)octan-4-ol has a molecular weight of 210.32 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpyrazol-3-yl)octan-4-ol is sourced from PubChem (CID 103016003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).