1-(4-carbamothioyl-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide

C13H21N5OS — CID 103195947

IUPAC1-(4-carbamothioyl-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2c(C(N)=S)c(C)nn2C)C1
InChIInChI=1S/C13H21N5OS/c1-8-10(11(14)20)13(17(3)16-8)18-6-4-5-9(7-18)12(19)15-2/h9H,4-7H2,1-3H3,(H2,14,20)(H,15,19)
InChIKeyZVFMPXFTNUKMLH-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.33
Rot. Bonds3

About 1-(4-carbamothioyl-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide

1-(4-carbamothioyl-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide (PubChem CID 103195947) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-(4-carbamothioyl-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-carbamothioyl-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide
PubChem CID103195947
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC Name1-(4-carbamothioyl-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2c(C(N)=S)c(C)nn2C)C1
InChIInChI=1S/C13H21N5OS/c1-8-10(11(14)20)13(17(3)16-8)18-6-4-5-9(7-18)12(19)15-2/h9H,4-7H2,1-3H3,(H2,14,20)(H,15,19)
InChIKeyZVFMPXFTNUKMLH-UHFFFAOYSA-N
XLogP0.33
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(4-cyano-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide
CID 103195546
5-(3-hydroxypiperidin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide
CID 63756175
1,3-dimethyl-5-pyrrolidin-1-ylpyrazole-4-carbothioamide
CID 63757362
1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidine-3-carboxylic acid
CID 63756447
1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazole-4-carbothioamide
CID 63756692
5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbothioamide
CID 64598322
1-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide
CID 103194427
5-[4-(dimethylamino)piperidin-1-yl]-1,3-dimethylpyrazole-4-carbothioamide
CID 63757044
1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazole-4-carbothioamide
CID 63757257
1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazole-4-carboximidamide
CID 63752202
1-(4-amino-1-methylpyrazol-3-yl)-N-methylpiperidine-3-carboxamide
CID 103194366
5-(3-ethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 43584669

Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamothioyl-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-carbamothioyl-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide (CID 103195947) is 1-(4-carbamothioyl-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-carbamothioyl-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-carbamothioyl-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2c(C(N)=S)c(C)nn2C)C1.
What is the InChIKey of 1-(4-carbamothioyl-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide?
The InChIKey is ZVFMPXFTNUKMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c1-8-10(11(14)20)13(17(3)16-8)18-6-4-5-9(7-18)12(19)15-2/h9H,4-7H2,1-3H3,(H2,14,20)(H,15,19).
What are the key properties of 1-(4-carbamothioyl-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide?
1-(4-carbamothioyl-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbamothioyl-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103195947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).