1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanone

C16H24N2O2 — CID 115809701

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanone
SMILESCOc1cnn(C)c1C(=O)C1CCC2CCCCC2C1
InChIInChI=1S/C16H24N2O2/c1-18-15(14(20-2)10-17-18)16(19)13-8-7-11-5-3-4-6-12(11)9-13/h10-13H,3-9H2,1-2H3
InChIKeyZCAHZIAJGXWTQT-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.22
Rot. Bonds3

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanone

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanone (PubChem CID 115809701) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanone
PubChem CID115809701
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanone
SMILESCOc1cnn(C)c1C(=O)C1CCC2CCCCC2C1
InChIInChI=1S/C16H24N2O2/c1-18-15(14(20-2)10-17-18)16(19)13-8-7-11-5-3-4-6-12(11)9-13/h10-13H,3-9H2,1-2H3
InChIKeyZCAHZIAJGXWTQT-UHFFFAOYSA-N
XLogP3.22
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanone with MolForge

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Related Compounds

(4-methoxy-1-methylpyrazol-5-yl)-(3-methylcyclohexyl)methanone
CID 114639658
7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809603
6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809767
(4-methoxy-1-methylpyrazol-5-yl)-(2-methylcyclopropyl)methanone
CID 114640859
(2-aminocyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114669670
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(1-methylpyrazol-4-yl)methanone
CID 114963969
(4-methoxy-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone
CID 114641814
cyclohexyl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114639235
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
3-bicyclo[3.1.0]hexanyl-(1,4-dimethylpyrazol-5-yl)methanone
CID 130527941
cycloheptyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640723
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanone (CID 115809701) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanone is COc1cnn(C)c1C(=O)C1CCC2CCCCC2C1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The InChIKey is ZCAHZIAJGXWTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18-15(14(20-2)10-17-18)16(19)13-8-7-11-5-3-4-6-12(11)9-13/h10-13H,3-9H2,1-2H3.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanone?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 115809701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).