cyclohexyl-(3-ethyl-1-methylpyrazol-5-yl)methanone

C13H20N2O — CID 105076841

IUPACcyclohexyl-(3-ethyl-1-methylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)C2CCCCC2)n(C)n1
InChIInChI=1S/C13H20N2O/c1-3-11-9-12(15(2)14-11)13(16)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
InChIKeyPXXWUISUDLTMHL-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.75
Rot. Bonds3

About cyclohexyl-(3-ethyl-1-methylpyrazol-5-yl)methanone

cyclohexyl-(3-ethyl-1-methylpyrazol-5-yl)methanone (PubChem CID 105076841) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is cyclohexyl-(3-ethyl-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(3-ethyl-1-methylpyrazol-5-yl)methanone
PubChem CID105076841
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Namecyclohexyl-(3-ethyl-1-methylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)C2CCCCC2)n(C)n1
InChIInChI=1S/C13H20N2O/c1-3-11-9-12(15(2)14-11)13(16)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
InChIKeyPXXWUISUDLTMHL-UHFFFAOYSA-N
XLogP2.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethyl-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone
CID 105104856
(3-amino-1-methylpyrazol-5-yl)-cycloheptylmethanone
CID 122171286
(3R)-1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 81119737
(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 66120347
N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121735
N-(2-aminoethyl)-N-cyclohexyl-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121559
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
N-(2-chlorocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114301286
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
N-[cyano(cyclohexyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119938
N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 131923639
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 79409981

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(3-ethyl-1-methylpyrazol-5-yl)methanone?
The IUPAC name of cyclohexyl-(3-ethyl-1-methylpyrazol-5-yl)methanone (CID 105076841) is cyclohexyl-(3-ethyl-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for cyclohexyl-(3-ethyl-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for cyclohexyl-(3-ethyl-1-methylpyrazol-5-yl)methanone is CCc1cc(C(=O)C2CCCCC2)n(C)n1.
What is the InChIKey of cyclohexyl-(3-ethyl-1-methylpyrazol-5-yl)methanone?
The InChIKey is PXXWUISUDLTMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-11-9-12(15(2)14-11)13(16)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of cyclohexyl-(3-ethyl-1-methylpyrazol-5-yl)methanone?
cyclohexyl-(3-ethyl-1-methylpyrazol-5-yl)methanone has a molecular weight of 220.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(3-ethyl-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 105076841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).