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

C11H14N2O — CID 114963936

IUPAC3-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)C2CC3CC3C2)cn1
InChIInChI=1S/C11H14N2O/c1-13-6-10(5-12-13)11(14)9-3-7-2-8(7)4-9/h5-9H,2-4H2,1H3
InChIKeyWDZAKAROLJOGFV-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.65
Rot. Bonds2

About 3-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone

3-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone (PubChem CID 114963936) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name3-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone
PubChem CID114963936
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)C2CC3CC3C2)cn1
InChIInChI=1S/C11H14N2O/c1-13-6-10(5-12-13)11(14)9-3-7-2-8(7)4-9/h5-9H,2-4H2,1H3
InChIKeyWDZAKAROLJOGFV-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

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(1-methylpyrazol-4-yl)methanone
CID 114963969
(4-tert-butylcyclohexyl)-(1-methylpyrazol-4-yl)methanone
CID 65400880
(1-methylpyrazol-4-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone
CID 130763997
6-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone
CID 114963983
3-bicyclo[3.1.0]hexanyl-(1,4-dimethylpyrazol-5-yl)methanone
CID 130527941
tert-butyl 7-(1-methylpyrazole-4-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171937549
1-methylpyrazole-4-carboxylate
CID 6979031
(1-methylpyrazol-4-yl)-(2-phenylcyclopropyl)methanone
CID 116517050
4-but-1-en-2-yl-1-methylpyrazole
CID 89160989
fluoromethane;1-methylpyrazole-4-carboxamide
CID 158051819
1-(1-methylpyrazol-4-yl)but-3-yn-1-one
CID 65195300
3-bicyclo[3.1.0]hexanyl-(2-propylpyrazol-3-yl)methanone
CID 114972285

Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of 3-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone (CID 114963936) is 3-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for 3-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for 3-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)C2CC3CC3C2)cn1.
What is the InChIKey of 3-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone?
The InChIKey is WDZAKAROLJOGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-13-6-10(5-12-13)11(14)9-3-7-2-8(7)4-9/h5-9H,2-4H2,1H3.
What are the key properties of 3-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone?
3-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 3-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 114963936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).