6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone

C12H16N2O2 — CID 115809767

IUPAC6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone
SMILESCOc1cnn(C)c1C(=O)C1C2CCCC21
InChIInChI=1S/C12H16N2O2/c1-14-11(9(16-2)6-13-14)12(15)10-7-4-3-5-8(7)10/h6-8,10H,3-5H2,1-2H3
InChIKeyGGLQYVHBNUYLKP-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.66
Rot. Bonds3

About 6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone

6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone (PubChem CID 115809767) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone
PubChem CID115809767
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone
SMILESCOc1cnn(C)c1C(=O)C1C2CCCC21
InChIInChI=1S/C12H16N2O2/c1-14-11(9(16-2)6-13-14)12(15)10-7-4-3-5-8(7)10/h6-8,10H,3-5H2,1-2H3
InChIKeyGGLQYVHBNUYLKP-UHFFFAOYSA-N
XLogP1.66
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone with MolForge

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Related Compounds

7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809603
(4-methoxy-1-methylpyrazol-5-yl)-(3-methylcyclohexyl)methanone
CID 114639658
(4-methoxy-1-methylpyrazol-5-yl)-(2-methylcyclopropyl)methanone
CID 114640859
7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone
CID 115803154
(4-methoxy-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone
CID 114641814
(2-aminocyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114669670
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809701
(4-methoxy-1-methylpyrazol-5-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 114668702
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
6-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone
CID 114963983
1-cyclobutyl-4-methoxypyrazole-5-carboxylic acid
CID 117233148

Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone (CID 115809767) is 6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone is COc1cnn(C)c1C(=O)C1C2CCCC21.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The InChIKey is GGLQYVHBNUYLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14-11(9(16-2)6-13-14)12(15)10-7-4-3-5-8(7)10/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone?
6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone has a molecular weight of 220.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 115809767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).