1-(4-chloro-1,3-dimethylpyrazole-5-carbonyl)-N-methylpiperidine-2-carboxamide

C13H19ClN4O2 — CID 118781670

IUPAC1-(4-chloro-1,3-dimethylpyrazole-5-carbonyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)c1c(Cl)c(C)nn1C
InChIInChI=1S/C13H19ClN4O2/c1-8-10(14)11(17(3)16-8)13(20)18-7-5-4-6-9(18)12(19)15-2/h9H,4-7H2,1-3H3,(H,15,19)
InChIKeyRYTZSWJRXHCRRS-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.12
Rot. Bonds2

About 1-(4-chloro-1,3-dimethylpyrazole-5-carbonyl)-N-methylpiperidine-2-carboxamide

1-(4-chloro-1,3-dimethylpyrazole-5-carbonyl)-N-methylpiperidine-2-carboxamide (PubChem CID 118781670) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-(4-chloro-1,3-dimethylpyrazole-5-carbonyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-1,3-dimethylpyrazole-5-carbonyl)-N-methylpiperidine-2-carboxamide
PubChem CID118781670
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name1-(4-chloro-1,3-dimethylpyrazole-5-carbonyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)c1c(Cl)c(C)nn1C
InChIInChI=1S/C13H19ClN4O2/c1-8-10(14)11(17(3)16-8)13(20)18-7-5-4-6-9(18)12(19)15-2/h9H,4-7H2,1-3H3,(H,15,19)
InChIKeyRYTZSWJRXHCRRS-UHFFFAOYSA-N
XLogP1.12
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-1-methylpyrazole-5-carbonyl)-N-methylpiperidine-2-carboxamide
CID 65359724
1-(2-chloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 61052177
1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpiperidine-2-carboxamide
CID 54989738
1-(2-chlorofuran-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 106686290
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550
1-(5,6-dichloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 60749477
1-(2,6-dichloropyridine-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 61053437
1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 62083003
methyl 1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-2-carboxylate
CID 115535701
1-(2-chloropropanoyl)-N-methylpiperidine-2-carboxamide
CID 60949285
1-(5-amino-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 113288544
1-(4-amino-1-methylpyrazole-3-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 65354173

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,3-dimethylpyrazole-5-carbonyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(4-chloro-1,3-dimethylpyrazole-5-carbonyl)-N-methylpiperidine-2-carboxamide (CID 118781670) is 1-(4-chloro-1,3-dimethylpyrazole-5-carbonyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(4-chloro-1,3-dimethylpyrazole-5-carbonyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(4-chloro-1,3-dimethylpyrazole-5-carbonyl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1C(=O)c1c(Cl)c(C)nn1C.
What is the InChIKey of 1-(4-chloro-1,3-dimethylpyrazole-5-carbonyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is RYTZSWJRXHCRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-8-10(14)11(17(3)16-8)13(20)18-7-5-4-6-9(18)12(19)15-2/h9H,4-7H2,1-3H3,(H,15,19).
What are the key properties of 1-(4-chloro-1,3-dimethylpyrazole-5-carbonyl)-N-methylpiperidine-2-carboxamide?
1-(4-chloro-1,3-dimethylpyrazole-5-carbonyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 298.77 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3-dimethylpyrazole-5-carbonyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 118781670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).