2-cycloheptyl-1-(2-propylpyrazol-3-yl)ethanone

C15H24N2O — CID 114972245

IUPAC2-cycloheptyl-1-(2-propylpyrazol-3-yl)ethanone
SMILESCCCn1nccc1C(=O)CC1CCCCCC1
InChIInChI=1S/C15H24N2O/c1-2-11-17-14(9-10-16-17)15(18)12-13-7-5-3-4-6-8-13/h9-10,13H,2-8,11-12H2,1H3
InChIKeyXXIXVNIGGQGZBC-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.84
Rot. Bonds5

About 2-cycloheptyl-1-(2-propylpyrazol-3-yl)ethanone

2-cycloheptyl-1-(2-propylpyrazol-3-yl)ethanone (PubChem CID 114972245) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-cycloheptyl-1-(2-propylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-cycloheptyl-1-(2-propylpyrazol-3-yl)ethanone
PubChem CID114972245
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-cycloheptyl-1-(2-propylpyrazol-3-yl)ethanone
SMILESCCCn1nccc1C(=O)CC1CCCCCC1
InChIInChI=1S/C15H24N2O/c1-2-11-17-14(9-10-16-17)15(18)12-13-7-5-3-4-6-8-13/h9-10,13H,2-8,11-12H2,1H3
InChIKeyXXIXVNIGGQGZBC-UHFFFAOYSA-N
XLogP3.84
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bicyclo[4.1.0]heptanyl-(2-propylpyrazol-3-yl)methanone
CID 114972299
2-cycloheptyl-1-(2-propan-2-ylpyrazol-3-yl)ethanone
CID 114197919
oxan-2-yl-(2-propylpyrazol-3-yl)methanone
CID 114972338
3-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)propan-1-one
CID 114972319
azepan-1-yl-(2-propylpyrazol-3-yl)methanone
CID 35522312
2-cyclohexyl-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331781
2-propylpyrazole-3-carboxylic acid
CID 7017775
azetidin-3-yl-(2-propylpyrazol-3-yl)methanone
CID 116583695
1-(2-ethylpyrazol-3-yl)-2-(oxolan-3-yl)ethanone
CID 103986189
2-(2,3-dihydro-1H-indol-3-yl)-1-(2-propylpyrazol-3-yl)ethanone
CID 116593479
3-bicyclo[3.1.0]hexanyl-(2-propylpyrazol-3-yl)methanone
CID 114972285
N-(cyclohexylmethyl)-2-ethylpyrazole-3-carboxamide
CID 155036093

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(2-propylpyrazol-3-yl)ethanone?
The IUPAC name of 2-cycloheptyl-1-(2-propylpyrazol-3-yl)ethanone (CID 114972245) is 2-cycloheptyl-1-(2-propylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-cycloheptyl-1-(2-propylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-cycloheptyl-1-(2-propylpyrazol-3-yl)ethanone is CCCn1nccc1C(=O)CC1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-1-(2-propylpyrazol-3-yl)ethanone?
The InChIKey is XXIXVNIGGQGZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-11-17-14(9-10-16-17)15(18)12-13-7-5-3-4-6-8-13/h9-10,13H,2-8,11-12H2,1H3.
What are the key properties of 2-cycloheptyl-1-(2-propylpyrazol-3-yl)ethanone?
2-cycloheptyl-1-(2-propylpyrazol-3-yl)ethanone has a molecular weight of 248.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(2-propylpyrazol-3-yl)ethanone is sourced from PubChem (CID 114972245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).