3-ethyl-N,1-dimethyl-N-piperidin-4-ylpyrazole-5-carboxamide

C13H22N4O — CID 66121344

IUPAC3-ethyl-N,1-dimethyl-N-piperidin-4-ylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(C)C2CCNCC2)n(C)n1
InChIInChI=1S/C13H22N4O/c1-4-10-9-12(17(3)15-10)13(18)16(2)11-5-7-14-8-6-11/h9,11,14H,4-8H2,1-3H3
InChIKeyMZTICZMIDXCRBS-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.81
Rot. Bonds3

About 3-ethyl-N,1-dimethyl-N-piperidin-4-ylpyrazole-5-carboxamide

3-ethyl-N,1-dimethyl-N-piperidin-4-ylpyrazole-5-carboxamide (PubChem CID 66121344) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-ethyl-N,1-dimethyl-N-piperidin-4-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N,1-dimethyl-N-piperidin-4-ylpyrazole-5-carboxamide
PubChem CID66121344
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-ethyl-N,1-dimethyl-N-piperidin-4-ylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(C)C2CCNCC2)n(C)n1
InChIInChI=1S/C13H22N4O/c1-4-10-9-12(17(3)15-10)13(18)16(2)11-5-7-14-8-6-11/h9,11,14H,4-8H2,1-3H3
InChIKeyMZTICZMIDXCRBS-UHFFFAOYSA-N
XLogP0.81
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N,1-dimethyl-N-(4-oxocyclohexyl)pyrazole-5-carboxamide
CID 79120552
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66121929
N-(4-acetamidocyclohexyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 136558388
N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazole-5-carboxamide
CID 66122670
N-(azetidin-3-yl)-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide
CID 66184379
3-ethyl-N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrazole-5-carboxamide
CID 66121900
N-cyclopropyl-3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
CID 106599278
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-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide
CID 66121022
N-(azepan-4-yl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 104974422
N-(2-aminoethyl)-N-cyclohexyl-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121559

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,1-dimethyl-N-piperidin-4-ylpyrazole-5-carboxamide?
The IUPAC name of 3-ethyl-N,1-dimethyl-N-piperidin-4-ylpyrazole-5-carboxamide (CID 66121344) is 3-ethyl-N,1-dimethyl-N-piperidin-4-ylpyrazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N,1-dimethyl-N-piperidin-4-ylpyrazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N,1-dimethyl-N-piperidin-4-ylpyrazole-5-carboxamide is CCc1cc(C(=O)N(C)C2CCNCC2)n(C)n1.
What is the InChIKey of 3-ethyl-N,1-dimethyl-N-piperidin-4-ylpyrazole-5-carboxamide?
The InChIKey is MZTICZMIDXCRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-10-9-12(17(3)15-10)13(18)16(2)11-5-7-14-8-6-11/h9,11,14H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-N,1-dimethyl-N-piperidin-4-ylpyrazole-5-carboxamide?
3-ethyl-N,1-dimethyl-N-piperidin-4-ylpyrazole-5-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,1-dimethyl-N-piperidin-4-ylpyrazole-5-carboxamide is sourced from PubChem (CID 66121344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).