6-ethoxy-1-(2-methylpyrazol-3-yl)hexan-3-ol

C12H22N2O2 — CID 103028081

IUPAC6-ethoxy-1-(2-methylpyrazol-3-yl)hexan-3-ol
SMILESCCOCCCC(O)CCc1ccnn1C
InChIInChI=1S/C12H22N2O2/c1-3-16-10-4-5-12(15)7-6-11-8-9-13-14(11)2/h8-9,12,15H,3-7,10H2,1-2H3
InChIKeyHMUWADZKVKWJPN-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.53
Rot. Bonds8

About 6-ethoxy-1-(2-methylpyrazol-3-yl)hexan-3-ol

6-ethoxy-1-(2-methylpyrazol-3-yl)hexan-3-ol (PubChem CID 103028081) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 6-ethoxy-1-(2-methylpyrazol-3-yl)hexan-3-ol.

Molecular Properties

Compound Name6-ethoxy-1-(2-methylpyrazol-3-yl)hexan-3-ol
PubChem CID103028081
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name6-ethoxy-1-(2-methylpyrazol-3-yl)hexan-3-ol
SMILESCCOCCCC(O)CCc1ccnn1C
InChIInChI=1S/C12H22N2O2/c1-3-16-10-4-5-12(15)7-6-11-8-9-13-14(11)2/h8-9,12,15H,3-7,10H2,1-2H3
InChIKeyHMUWADZKVKWJPN-UHFFFAOYSA-N
XLogP1.53
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.53
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

6-(2-methylpyrazol-3-yl)hexane-1,4-diol
CID 106677975
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
8-(2-methylpyrazol-3-yl)octan-4-ol
CID 103016003
5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol
CID 103028111
1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643
4-methoxy-1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 103008347
2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005024
1-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008038
1-butan-2-ylsulfanyl-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008171
1-(tert-butylamino)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103017776
2-methyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103013814
1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-ol
CID 103028043

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1-(2-methylpyrazol-3-yl)hexan-3-ol?
The IUPAC name of 6-ethoxy-1-(2-methylpyrazol-3-yl)hexan-3-ol (CID 103028081) is 6-ethoxy-1-(2-methylpyrazol-3-yl)hexan-3-ol.
What is the SMILES notation for 6-ethoxy-1-(2-methylpyrazol-3-yl)hexan-3-ol?
The canonical SMILES for 6-ethoxy-1-(2-methylpyrazol-3-yl)hexan-3-ol is CCOCCCC(O)CCc1ccnn1C.
What is the InChIKey of 6-ethoxy-1-(2-methylpyrazol-3-yl)hexan-3-ol?
The InChIKey is HMUWADZKVKWJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-16-10-4-5-12(15)7-6-11-8-9-13-14(11)2/h8-9,12,15H,3-7,10H2,1-2H3.
What are the key properties of 6-ethoxy-1-(2-methylpyrazol-3-yl)hexan-3-ol?
6-ethoxy-1-(2-methylpyrazol-3-yl)hexan-3-ol has a molecular weight of 226.32 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-(2-methylpyrazol-3-yl)hexan-3-ol is sourced from PubChem (CID 103028081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).