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

C11H14N2O — CID 114963983

IUPAC6-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)C2C3CCCC32)cn1
InChIInChI=1S/C11H14N2O/c1-13-6-7(5-12-13)11(14)10-8-3-2-4-9(8)10/h5-6,8-10H,2-4H2,1H3
InChIKeyZALUAVCDQGESQY-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.65
Rot. Bonds2

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

6-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone (PubChem CID 114963983) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone
PubChem CID114963983
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name6-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)C2C3CCCC32)cn1
InChIInChI=1S/C11H14N2O/c1-13-6-7(5-12-13)11(14)10-8-3-2-4-9(8)10/h5-6,8-10H,2-4H2,1H3
InChIKeyZALUAVCDQGESQY-UHFFFAOYSA-N
XLogP1.65
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylpyrazol-4-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone
CID 130763997
2-[(2S)-1-[(1S,5S)-bicyclo[3.1.0]hexane-6-carbonyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 98248444
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(1-methylpyrazol-4-yl)methanone
CID 114963969
3-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone
CID 114963936
(4-tert-butylcyclohexyl)-(1-methylpyrazol-4-yl)methanone
CID 65400880
[2-(2-hydroxycyclopentyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 79545074
6-bicyclo[3.1.0]hexanyl-(6-methyl-3-pyridinyl)methanone
CID 114971615
6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809767
1-methylpyrazole-4-carboxylate
CID 6979031
cyclooctyl 1-methylpyrazole-4-carboxylate
CID 78840160
7-bicyclo[4.1.0]heptanyl-(2-propylpyrazol-3-yl)methanone
CID 114972299
2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid
CID 54926515

Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone (CID 114963983) is 6-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)C2C3CCCC32)cn1.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone?
The InChIKey is ZALUAVCDQGESQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-13-6-7(5-12-13)11(14)10-8-3-2-4-9(8)10/h5-6,8-10H,2-4H2,1H3.
What are the key properties of 6-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone?
6-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone has a molecular weight of 190.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 114963983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).