3-bicyclo[3.1.0]hexanyl-(1,4-dimethylpyrazol-5-yl)methanone

C12H16N2O — CID 130527941

IUPAC3-bicyclo[3.1.0]hexanyl-(1,4-dimethylpyrazol-5-yl)methanone
SMILESCc1cnn(C)c1C(=O)C1CC2CC2C1
InChIInChI=1S/C12H16N2O/c1-7-6-13-14(2)11(7)12(15)10-4-8-3-9(8)5-10/h6,8-10H,3-5H2,1-2H3
InChIKeyOKVNDQUSLBTTFV-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.96
Rot. Bonds2

About 3-bicyclo[3.1.0]hexanyl-(1,4-dimethylpyrazol-5-yl)methanone

3-bicyclo[3.1.0]hexanyl-(1,4-dimethylpyrazol-5-yl)methanone (PubChem CID 130527941) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-bicyclo[3.1.0]hexanyl-(1,4-dimethylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name3-bicyclo[3.1.0]hexanyl-(1,4-dimethylpyrazol-5-yl)methanone
PubChem CID130527941
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-bicyclo[3.1.0]hexanyl-(1,4-dimethylpyrazol-5-yl)methanone
SMILESCc1cnn(C)c1C(=O)C1CC2CC2C1
InChIInChI=1S/C12H16N2O/c1-7-6-13-14(2)11(7)12(15)10-4-8-3-9(8)5-10/h6,8-10H,3-5H2,1-2H3
InChIKeyOKVNDQUSLBTTFV-UHFFFAOYSA-N
XLogP1.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1,4-dimethylpyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 112742472
3-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone
CID 114963936
(1,4-dimethylpyrazol-5-yl)-(oxolan-2-yl)methanone
CID 130527330
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809701
3-bicyclo[3.1.0]hexanyl-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 115803497
azetidin-1-yl-(1,4-dimethylpyrazol-5-yl)methanone
CID 169156016
N-cyclopropyl-N,1,4-trimethylpyrazole-5-carboxamide
CID 169156131
cyclopropyl-(4-cyclopropyl-1-methylpyrazol-5-yl)methanone
CID 164644891
(4-methoxy-1-methylpyrazol-5-yl)-(2-methylcyclopropyl)methanone
CID 114640859
(1,4-dimethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone
CID 112742471
(4-methoxy-1-methylpyrazol-5-yl)-(3-methylcyclohexyl)methanone
CID 114639658
(4-tert-butylcyclohexyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 114640751

Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[3.1.0]hexanyl-(1,4-dimethylpyrazol-5-yl)methanone?
The IUPAC name of 3-bicyclo[3.1.0]hexanyl-(1,4-dimethylpyrazol-5-yl)methanone (CID 130527941) is 3-bicyclo[3.1.0]hexanyl-(1,4-dimethylpyrazol-5-yl)methanone.
What is the SMILES notation for 3-bicyclo[3.1.0]hexanyl-(1,4-dimethylpyrazol-5-yl)methanone?
The canonical SMILES for 3-bicyclo[3.1.0]hexanyl-(1,4-dimethylpyrazol-5-yl)methanone is Cc1cnn(C)c1C(=O)C1CC2CC2C1.
What is the InChIKey of 3-bicyclo[3.1.0]hexanyl-(1,4-dimethylpyrazol-5-yl)methanone?
The InChIKey is OKVNDQUSLBTTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-7-6-13-14(2)11(7)12(15)10-4-8-3-9(8)5-10/h6,8-10H,3-5H2,1-2H3.
What are the key properties of 3-bicyclo[3.1.0]hexanyl-(1,4-dimethylpyrazol-5-yl)methanone?
3-bicyclo[3.1.0]hexanyl-(1,4-dimethylpyrazol-5-yl)methanone has a molecular weight of 204.27 g/mol, XLogP of 1.96, 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-(1,4-dimethylpyrazol-5-yl)methanone is sourced from PubChem (CID 130527941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).