3-ethyl-N,1-dimethyl-N-(4-oxocyclohexyl)pyrazole-5-carboxamide

C14H21N3O2 — CID 79120552

IUPAC3-ethyl-N,1-dimethyl-N-(4-oxocyclohexyl)pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(C)C2CCC(=O)CC2)n(C)n1
InChIInChI=1S/C14H21N3O2/c1-4-10-9-13(17(3)15-10)14(19)16(2)11-5-7-12(18)8-6-11/h9,11H,4-8H2,1-3H3
InChIKeyOOUGPOXSGXCLNI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.57
Rot. Bonds3

About 3-ethyl-N,1-dimethyl-N-(4-oxocyclohexyl)pyrazole-5-carboxamide

3-ethyl-N,1-dimethyl-N-(4-oxocyclohexyl)pyrazole-5-carboxamide (PubChem CID 79120552) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-ethyl-N,1-dimethyl-N-(4-oxocyclohexyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N,1-dimethyl-N-(4-oxocyclohexyl)pyrazole-5-carboxamide
PubChem CID79120552
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-ethyl-N,1-dimethyl-N-(4-oxocyclohexyl)pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(C)C2CCC(=O)CC2)n(C)n1
InChIInChI=1S/C14H21N3O2/c1-4-10-9-13(17(3)15-10)14(19)16(2)11-5-7-12(18)8-6-11/h9,11H,4-8H2,1-3H3
InChIKeyOOUGPOXSGXCLNI-UHFFFAOYSA-N
XLogP1.57
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N,1-dimethyl-N-piperidin-4-ylpyrazole-5-carboxamide
CID 66121344
N-(4-acetamidocyclohexyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 136558388
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66121929
N-[2-(aminomethyl)cyclohexyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66121154
N-(2-aminoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121097
N-(2-aminoethyl)-N-cyclohexyl-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121559
N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120332
N-(azetidin-3-yl)-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide
CID 66184379
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide
CID 66121022
N-cyclopropyl-3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
CID 106599278
3-ethyl-N,N-bis(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
CID 66122498
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,1-dimethyl-N-(4-oxocyclohexyl)pyrazole-5-carboxamide?
The IUPAC name of 3-ethyl-N,1-dimethyl-N-(4-oxocyclohexyl)pyrazole-5-carboxamide (CID 79120552) is 3-ethyl-N,1-dimethyl-N-(4-oxocyclohexyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N,1-dimethyl-N-(4-oxocyclohexyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N,1-dimethyl-N-(4-oxocyclohexyl)pyrazole-5-carboxamide is CCc1cc(C(=O)N(C)C2CCC(=O)CC2)n(C)n1.
What is the InChIKey of 3-ethyl-N,1-dimethyl-N-(4-oxocyclohexyl)pyrazole-5-carboxamide?
The InChIKey is OOUGPOXSGXCLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-10-9-13(17(3)15-10)14(19)16(2)11-5-7-12(18)8-6-11/h9,11H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-N,1-dimethyl-N-(4-oxocyclohexyl)pyrazole-5-carboxamide?
3-ethyl-N,1-dimethyl-N-(4-oxocyclohexyl)pyrazole-5-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,1-dimethyl-N-(4-oxocyclohexyl)pyrazole-5-carboxamide is sourced from PubChem (CID 79120552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).