8-[(1-butan-2-ylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-ol

C18H28N2O — CID 64784443

IUPAC8-[(1-butan-2-ylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
SMILESCCC(C)n1ccc(CC2(O)CC3CC2C2CCCC32)n1
InChIInChI=1S/C18H28N2O/c1-3-12(2)20-8-7-14(19-20)11-18(21)10-13-9-17(18)16-6-4-5-15(13)16/h7-8,12-13,15-17,21H,3-6,9-11H2,1-2H3
InChIKeyFWESMGWNNCPXLU-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.58
Rot. Bonds4

About 8-[(1-butan-2-ylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-ol

8-[(1-butan-2-ylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-ol (PubChem CID 64784443) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 8-[(1-butan-2-ylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-ol.

Molecular Properties

Compound Name8-[(1-butan-2-ylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
PubChem CID64784443
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name8-[(1-butan-2-ylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
SMILESCCC(C)n1ccc(CC2(O)CC3CC2C2CCCC32)n1
InChIInChI=1S/C18H28N2O/c1-3-12(2)20-8-7-14(19-20)11-18(21)10-13-9-17(18)16-6-4-5-15(13)16/h7-8,12-13,15-17,21H,3-6,9-11H2,1-2H3
InChIKeyFWESMGWNNCPXLU-UHFFFAOYSA-N
XLogP3.58
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-[(1-butan-2-ylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-ol with MolForge

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Related Compounds

8-[(5-bromo-2-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
CID 104801466
3-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-ol
CID 116539988
8-[(1-methylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 82870102
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79863680
2-methoxy-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 106873747
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroinden-1-ol
CID 64785216
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 65194729
4-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-propan-2-yloxan-4-ol
CID 64786024
3-[(3-bromocyclohexyl)methyl]-1-butan-2-ylpyrazole
CID 64778951
[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine
CID 64778489
1-[2-(1-butan-2-ylpyrazol-3-yl)-1-hydroxyethyl]cyclopentan-1-ol
CID 103448497
[1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine
CID 65425655

Frequently Asked Questions

What is the IUPAC name of 8-[(1-butan-2-ylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-ol?
The IUPAC name of 8-[(1-butan-2-ylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-ol (CID 64784443) is 8-[(1-butan-2-ylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-ol.
What is the SMILES notation for 8-[(1-butan-2-ylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-ol?
The canonical SMILES for 8-[(1-butan-2-ylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-ol is CCC(C)n1ccc(CC2(O)CC3CC2C2CCCC32)n1.
What is the InChIKey of 8-[(1-butan-2-ylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-ol?
The InChIKey is FWESMGWNNCPXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-12(2)20-8-7-14(19-20)11-18(21)10-13-9-17(18)16-6-4-5-15(13)16/h7-8,12-13,15-17,21H,3-6,9-11H2,1-2H3.
What are the key properties of 8-[(1-butan-2-ylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-ol?
8-[(1-butan-2-ylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-ol has a molecular weight of 288.44 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-butan-2-ylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-ol is sourced from PubChem (CID 64784443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).