2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol

C14H22N2O2 — CID 115836851

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
SMILESCOc1cnn(C)c1C(O)CC1CC2CCC1C2
InChIInChI=1S/C14H22N2O2/c1-16-14(13(18-2)8-15-16)12(17)7-11-6-9-3-4-10(11)5-9/h8-12,17H,3-7H2,1-2H3
InChIKeyKYIOHJYSYIKGBL-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.29
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol

2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol (PubChem CID 115836851) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
PubChem CID115836851
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
SMILESCOc1cnn(C)c1C(O)CC1CC2CCC1C2
InChIInChI=1S/C14H22N2O2/c1-16-14(13(18-2)8-15-16)12(17)7-11-6-9-3-4-10(11)5-9/h8-12,17H,3-7H2,1-2H3
InChIKeyKYIOHJYSYIKGBL-UHFFFAOYSA-N
XLogP2.29
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethoxyphenyl)ethanol
CID 61101402
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
CID 105048734
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-chloro-6-methoxyphenyl)ethanol
CID 104817177
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106790580
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4-dimethoxyphenyl)ethanol
CID 61087143
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114643178
2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-2-methoxyphenyl)ethanol
CID 63428493
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-chloro-3,4-dimethoxyphenyl)ethanol
CID 79561405
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-2-methoxyphenyl)ethanol
CID 115821259
[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 105342090
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-difluoro-4-methoxyphenyl)ethanol
CID 61099271
1-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114660349

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol (CID 115836851) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol is COc1cnn(C)c1C(O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol?
The InChIKey is KYIOHJYSYIKGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16-14(13(18-2)8-15-16)12(17)7-11-6-9-3-4-10(11)5-9/h8-12,17H,3-7H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol?
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol has a molecular weight of 250.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol is sourced from PubChem (CID 115836851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).