3-bicyclo[3.1.0]hexanyl-(2-propylpyrazol-3-yl)methanone

C13H18N2O — CID 114972285

IUPAC3-bicyclo[3.1.0]hexanyl-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)C1CC2CC2C1
InChIInChI=1S/C13H18N2O/c1-2-5-15-12(3-4-14-15)13(16)11-7-9-6-10(9)8-11/h3-4,9-11H,2,5-8H2,1H3
InChIKeyLJARZZDTQRNELU-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.52
Rot. Bonds4

About 3-bicyclo[3.1.0]hexanyl-(2-propylpyrazol-3-yl)methanone

3-bicyclo[3.1.0]hexanyl-(2-propylpyrazol-3-yl)methanone (PubChem CID 114972285) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-bicyclo[3.1.0]hexanyl-(2-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name3-bicyclo[3.1.0]hexanyl-(2-propylpyrazol-3-yl)methanone
PubChem CID114972285
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-bicyclo[3.1.0]hexanyl-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)C1CC2CC2C1
InChIInChI=1S/C13H18N2O/c1-2-5-15-12(3-4-14-15)13(16)11-7-9-6-10(9)8-11/h3-4,9-11H,2,5-8H2,1H3
InChIKeyLJARZZDTQRNELU-UHFFFAOYSA-N
XLogP2.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bicyclo[3.1.0]hexanyl-(2-propylpyrazol-3-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

azetidin-3-yl-(2-propylpyrazol-3-yl)methanone
CID 116583695
(4-propan-2-ylcyclohexyl)-(2-propylpyrazol-3-yl)methanone
CID 65424270
7-bicyclo[4.1.0]heptanyl-(2-propylpyrazol-3-yl)methanone
CID 114972299
(4-methylmorpholin-2-yl)-(2-propylpyrazol-3-yl)methanone
CID 79077309
2-propylpyrazole-3-carboxylic acid
CID 7017775
oxan-2-yl-(2-propylpyrazol-3-yl)methanone
CID 114972338
azepan-1-yl-(2-propylpyrazol-3-yl)methanone
CID 35522312
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 39855081
morpholin-2-yl-(2-propylpyrazol-3-yl)methanone
CID 116561656
2-amino-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116551709
2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one
CID 103451384
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-propylpyrazol-3-yl)methanone
CID 79087928

Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[3.1.0]hexanyl-(2-propylpyrazol-3-yl)methanone?
The IUPAC name of 3-bicyclo[3.1.0]hexanyl-(2-propylpyrazol-3-yl)methanone (CID 114972285) is 3-bicyclo[3.1.0]hexanyl-(2-propylpyrazol-3-yl)methanone.
What is the SMILES notation for 3-bicyclo[3.1.0]hexanyl-(2-propylpyrazol-3-yl)methanone?
The canonical SMILES for 3-bicyclo[3.1.0]hexanyl-(2-propylpyrazol-3-yl)methanone is CCCn1nccc1C(=O)C1CC2CC2C1.
What is the InChIKey of 3-bicyclo[3.1.0]hexanyl-(2-propylpyrazol-3-yl)methanone?
The InChIKey is LJARZZDTQRNELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-5-15-12(3-4-14-15)13(16)11-7-9-6-10(9)8-11/h3-4,9-11H,2,5-8H2,1H3.
What are the key properties of 3-bicyclo[3.1.0]hexanyl-(2-propylpyrazol-3-yl)methanone?
3-bicyclo[3.1.0]hexanyl-(2-propylpyrazol-3-yl)methanone has a molecular weight of 218.30 g/mol, XLogP of 2.52, 4 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-(2-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 114972285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).