5-methoxy-5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol

C14H26N2O2 — CID 103028410

IUPAC5-methoxy-5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
SMILESCOC(C)(C)CCC(O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C14H26N2O2/c1-10-13(11(2)16(5)15-10)9-12(17)7-8-14(3,4)18-6/h12,17H,7-9H2,1-6H3
InChIKeyGTFZPSPNCDIUPK-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.15
Rot. Bonds6

About 5-methoxy-5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol

5-methoxy-5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol (PubChem CID 103028410) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 5-methoxy-5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol.

Molecular Properties

Compound Name5-methoxy-5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
PubChem CID103028410
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name5-methoxy-5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
SMILESCOC(C)(C)CCC(O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C14H26N2O2/c1-10-13(11(2)16(5)15-10)9-12(17)7-8-14(3,4)18-6/h12,17H,7-9H2,1-6H3
InChIKeyGTFZPSPNCDIUPK-UHFFFAOYSA-N
XLogP2.15
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-methoxy-5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-yl]hydrazine
CID 103026489
6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
CID 105120573
4-methoxy-N,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 103031632
4-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
CID 105122498
4,6-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-2-ol
CID 114201866
1-(3-methoxypyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105123898
3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
CID 107894694
methyl 3,3-dimethyl-4-oxo-4-[[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]amino]butanoate
CID 124736201
1-(2-propyl-1,2,4-triazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol
CID 105109707
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol
CID 105108326
1-(2-bromo-5-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol
CID 105100011
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol?
The IUPAC name of 5-methoxy-5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol (CID 103028410) is 5-methoxy-5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol.
What is the SMILES notation for 5-methoxy-5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol?
The canonical SMILES for 5-methoxy-5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol is COC(C)(C)CCC(O)Cc1c(C)nn(C)c1C.
What is the InChIKey of 5-methoxy-5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol?
The InChIKey is GTFZPSPNCDIUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10-13(11(2)16(5)15-10)9-12(17)7-8-14(3,4)18-6/h12,17H,7-9H2,1-6H3.
What are the key properties of 5-methoxy-5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol?
5-methoxy-5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol has a molecular weight of 254.37 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol is sourced from PubChem (CID 103028410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).