2-(4-methoxy-1-methylpyrazol-5-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

C15H24N2O2 — CID 114637506

IUPAC2-(4-methoxy-1-methylpyrazol-5-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCOc1cnn(C)c1C1(O)C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C15H24N2O2/c1-13(2)10-6-7-14(3,8-10)15(13,18)12-11(19-5)9-16-17(12)4/h9-10,18H,6-8H2,1-5H3
InChIKeyHGHPSIIAEFPUPU-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.46
Rot. Bonds2

About 2-(4-methoxy-1-methylpyrazol-5-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

2-(4-methoxy-1-methylpyrazol-5-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 114637506) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(4-methoxy-1-methylpyrazol-5-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name2-(4-methoxy-1-methylpyrazol-5-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID114637506
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(4-methoxy-1-methylpyrazol-5-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCOc1cnn(C)c1C1(O)C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C15H24N2O2/c1-13(2)10-6-7-14(3,8-10)15(13,18)12-11(19-5)9-16-17(12)4/h9-10,18H,6-8H2,1-5H3
InChIKeyHGHPSIIAEFPUPU-UHFFFAOYSA-N
XLogP2.46
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxy-1-methylpyrazol-5-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol with MolForge

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Related Compounds

2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 114637505
1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylcyclopentan-1-ol
CID 114635969
3-(4-methoxy-1-methylpyrazol-5-yl)-1,1-dioxothiolan-3-ol
CID 114633905
(1S,2S,4R)-2-[2-(methoxymethyl)phenyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 10564279
bis(2-(3-tert-butyl-2-methoxyphenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol);carbanide;zinc
CID 5234731
1,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-ol
CID 103006613
5-(2-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)furan-2-carboxylic acid
CID 106946294
2-(2,3-difluoro-4-methylphenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 107512332
2-(1-benzofuran-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 114724481
(1R,2S,4S)-2-tert-butyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 101234251
2-[6-(1-hydroxyethyl)-2-pyridinyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 102381808
1,3,3-trimethyl-2-quinolin-8-ylbicyclo[2.2.1]heptan-2-ol
CID 115401286

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1-methylpyrazol-5-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 2-(4-methoxy-1-methylpyrazol-5-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol (CID 114637506) is 2-(4-methoxy-1-methylpyrazol-5-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 2-(4-methoxy-1-methylpyrazol-5-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 2-(4-methoxy-1-methylpyrazol-5-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol is COc1cnn(C)c1C1(O)C2(C)CCC(C2)C1(C)C.
What is the InChIKey of 2-(4-methoxy-1-methylpyrazol-5-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is HGHPSIIAEFPUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-13(2)10-6-7-14(3,8-10)15(13,18)12-11(19-5)9-16-17(12)4/h9-10,18H,6-8H2,1-5H3.
What are the key properties of 2-(4-methoxy-1-methylpyrazol-5-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
2-(4-methoxy-1-methylpyrazol-5-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 264.37 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1-methylpyrazol-5-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 114637506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).