4-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-3-carboxamide

C12H19N5O2 — CID 65363091

IUPAC4-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NC2CCC(=O)N(C)C2)n1
InChIInChI=1S/C12H19N5O2/c1-3-17-7-9(13)11(15-17)12(19)14-8-4-5-10(18)16(2)6-8/h7-8H,3-6,13H2,1-2H3,(H,14,19)
InChIKeyQLHAAQVTXLCFIS-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.16
Rot. Bonds3

About 4-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-3-carboxamide

4-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-3-carboxamide (PubChem CID 65363091) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-3-carboxamide
PubChem CID65363091
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name4-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NC2CCC(=O)N(C)C2)n1
InChIInChI=1S/C12H19N5O2/c1-3-17-7-9(13)11(15-17)12(19)14-8-4-5-10(18)16(2)6-8/h7-8H,3-6,13H2,1-2H3,(H,14,19)
InChIKeyQLHAAQVTXLCFIS-UHFFFAOYSA-N
XLogP-0.16
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrazole-3-carboxamide
CID 65358133
4-amino-N-(2,3-dihydro-1H-inden-2-yl)-1-ethylpyrazole-3-carboxamide
CID 107843308
4-amino-1-ethyl-N-(2-methylcyclopropyl)pyrazole-3-carboxamide
CID 65358265
3-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-4-sulfonamide
CID 64656103
4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrazole-3-carboxamide
CID 114615025
4-amino-1-ethyl-N-(3-ethyl-2-methylcyclopentyl)pyrazole-3-carboxamide
CID 65363260
2-amino-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655074
4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 65359089
4-amino-N-(1-cyclohexylethyl)-1-ethylpyrazole-3-carboxamide
CID 65358266
4-bromo-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-5-carboxamide
CID 138013797
4-amino-1,3-dimethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-5-carboxamide
CID 66125182
2-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 64655940

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-3-carboxamide (CID 65363091) is 4-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-3-carboxamide is CCn1cc(N)c(C(=O)NC2CCC(=O)N(C)C2)n1.
What is the InChIKey of 4-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-3-carboxamide?
The InChIKey is QLHAAQVTXLCFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-3-17-7-9(13)11(15-17)12(19)14-8-4-5-10(18)16(2)6-8/h7-8H,3-6,13H2,1-2H3,(H,14,19).
What are the key properties of 4-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-3-carboxamide?
4-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-3-carboxamide has a molecular weight of 265.32 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 65363091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).