1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol

C16H26N2O — CID 115813550

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol
SMILESCCc1cc(CC(O)CC2CC3CCC2C3)n(C)n1
InChIInChI=1S/C16H26N2O/c1-3-14-9-15(18(2)17-14)10-16(19)8-13-7-11-4-5-12(13)6-11/h9,11-13,16,19H,3-8,10H2,1-2H3
InChIKeyHVYPXDOFHOXYSW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.71
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol

1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol (PubChem CID 115813550) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol
PubChem CID115813550
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol
SMILESCCc1cc(CC(O)CC2CC3CCC2C3)n(C)n1
InChIInChI=1S/C16H26N2O/c1-3-14-9-15(18(2)17-14)10-16(19)8-13-7-11-4-5-12(13)6-11/h9,11-13,16,19H,3-8,10H2,1-2H3
InChIKeyHVYPXDOFHOXYSW-UHFFFAOYSA-N
XLogP2.71
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
CID 104999302
1-(2-bicyclo[2.2.1]heptanyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 113383435
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 115813447
2-(2-bicyclo[2.2.1]heptanyl)-1-(1,3-diethylpyrazol-5-yl)-N-ethylethanamine
CID 105167871
4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-ol
CID 105107607
1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 115818459
1-cyclobutyl-3-(1,3-diethylpyrazol-5-yl)propan-2-ol
CID 103170098
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 98078726
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-bromo-4-methoxyphenyl)propan-2-ol
CID 115779476
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-phenylcyclopropyl)ethanol
CID 115813510
1-(3-ethyl-1-methylpyrazol-5-yl)-4,6,6-trimethylheptan-2-ol
CID 115813553
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 115836851

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol (CID 115813550) is 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol is CCc1cc(CC(O)CC2CC3CCC2C3)n(C)n1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol?
The InChIKey is HVYPXDOFHOXYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-14-9-15(18(2)17-14)10-16(19)8-13-7-11-4-5-12(13)6-11/h9,11-13,16,19H,3-8,10H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol?
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol has a molecular weight of 262.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol is sourced from PubChem (CID 115813550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).