1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(2-ethylpyrazol-3-yl)methanol

C17H20N2O — CID 115798870

IUPAC1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(2-ethylpyrazol-3-yl)methanol
SMILESCCn1nccc1C(O)C1C2CCc3ccccc3C21
InChIInChI=1S/C17H20N2O/c1-2-19-14(9-10-18-19)17(20)16-13-8-7-11-5-3-4-6-12(11)15(13)16/h3-6,9-10,13,15-17,20H,2,7-8H2,1H3
InChIKeyCMBUIBLQPNGIHN-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.91
Rot. Bonds3

About 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(2-ethylpyrazol-3-yl)methanol

1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(2-ethylpyrazol-3-yl)methanol (PubChem CID 115798870) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(2-ethylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(2-ethylpyrazol-3-yl)methanol
PubChem CID115798870
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(2-ethylpyrazol-3-yl)methanol
SMILESCCn1nccc1C(O)C1C2CCc3ccccc3C21
InChIInChI=1S/C17H20N2O/c1-2-19-14(9-10-18-19)17(20)16-13-8-7-11-5-3-4-6-12(11)15(13)16/h3-6,9-10,13,15-17,20H,2,7-8H2,1H3
InChIKeyCMBUIBLQPNGIHN-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-methyltriazol-4-yl)methanol
CID 115835997
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(1-methylpyrazol-4-yl)methanol
CID 114981786
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-bromo-1-methylpyrazol-5-yl)methanol
CID 115839213
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-ethylcyclohexyl)methanol
CID 115807350
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-methylpentan-1-ol
CID 115789319
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-ol
CID 115784012
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-fluoro-4-pyridinyl)methanol
CID 115833981
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(furan-3-yl)ethanol
CID 115830319
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(cyclohexyl)methanol
CID 115802125
1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene
CID 132609163
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-methylpent-4-en-1-ol
CID 115834493
1-(2-propylpyrazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 114557066

Frequently Asked Questions

What is the IUPAC name of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(2-ethylpyrazol-3-yl)methanol?
The IUPAC name of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(2-ethylpyrazol-3-yl)methanol (CID 115798870) is 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(2-ethylpyrazol-3-yl)methanol.
What is the SMILES notation for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(2-ethylpyrazol-3-yl)methanol?
The canonical SMILES for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(2-ethylpyrazol-3-yl)methanol is CCn1nccc1C(O)C1C2CCc3ccccc3C21.
What is the InChIKey of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(2-ethylpyrazol-3-yl)methanol?
The InChIKey is CMBUIBLQPNGIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-19-14(9-10-18-19)17(20)16-13-8-7-11-5-3-4-6-12(11)15(13)16/h3-6,9-10,13,15-17,20H,2,7-8H2,1H3.
What are the key properties of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(2-ethylpyrazol-3-yl)methanol?
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(2-ethylpyrazol-3-yl)methanol has a molecular weight of 268.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(2-ethylpyrazol-3-yl)methanol is sourced from PubChem (CID 115798870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).