7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone

C13H18N2O2 — CID 115809603

IUPAC7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone
SMILESCOc1cnn(C)c1C(=O)C1C2CCCCC21
InChIInChI=1S/C13H18N2O2/c1-15-12(10(17-2)7-14-15)13(16)11-8-5-3-4-6-9(8)11/h7-9,11H,3-6H2,1-2H3
InChIKeyVIEKSXOPEQCMPH-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.05
Rot. Bonds3

About 7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone

7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone (PubChem CID 115809603) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone
PubChem CID115809603
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone
SMILESCOc1cnn(C)c1C(=O)C1C2CCCCC21
InChIInChI=1S/C13H18N2O2/c1-15-12(10(17-2)7-14-15)13(16)11-8-5-3-4-6-9(8)11/h7-9,11H,3-6H2,1-2H3
InChIKeyVIEKSXOPEQCMPH-UHFFFAOYSA-N
XLogP2.05
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809767
7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone
CID 115803154
(2-aminocyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114669670
(4-methoxy-1-methylpyrazol-5-yl)-(2-methylcyclopropyl)methanone
CID 114640859
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)-(thiolan-2-yl)methanone
CID 114641814
(4-methoxy-1-methylpyrazol-5-yl)-(3-methylcyclohexyl)methanone
CID 114639658
(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
cyclohexyl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114639235
(4-methoxy-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-2-yl)methanone
CID 114669700

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone (CID 115809603) is 7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone is COc1cnn(C)c1C(=O)C1C2CCCCC21.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The InChIKey is VIEKSXOPEQCMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15-12(10(17-2)7-14-15)13(16)11-8-5-3-4-6-9(8)11/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone?
7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 115809603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).