2-(4-carbamothioylpyrazol-1-yl)-N-methylpropanamide

C8H12N4OS — CID 130573531

IUPAC2-(4-carbamothioylpyrazol-1-yl)-N-methylpropanamide
SMILESCNC(=O)C(C)n1cc(C(N)=S)cn1
InChIInChI=1S/C8H12N4OS/c1-5(8(13)10-2)12-4-6(3-11-12)7(9)14/h3-5H,1-2H3,(H2,9,14)(H,10,13)
InChIKeySUCZICNXTXQQHR-UHFFFAOYSA-N
MW212.28 g/mol
LogP-0.18
Rot. Bonds3

About 2-(4-carbamothioylpyrazol-1-yl)-N-methylpropanamide

2-(4-carbamothioylpyrazol-1-yl)-N-methylpropanamide (PubChem CID 130573531) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 2-(4-carbamothioylpyrazol-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-carbamothioylpyrazol-1-yl)-N-methylpropanamide
PubChem CID130573531
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name2-(4-carbamothioylpyrazol-1-yl)-N-methylpropanamide
SMILESCNC(=O)C(C)n1cc(C(N)=S)cn1
InChIInChI=1S/C8H12N4OS/c1-5(8(13)10-2)12-4-6(3-11-12)7(9)14/h3-5H,1-2H3,(H2,9,14)(H,10,13)
InChIKeySUCZICNXTXQQHR-UHFFFAOYSA-N
XLogP-0.18
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(4-aminoanilino)-1-oxopropan-2-yl]pyrazole-4-carboxamide
CID 64780083
2-(4-carbamoylpyrazol-1-yl)propanoic acid
CID 19623315
(2S)-2-(4-bromopyrazol-1-yl)propanehydrazide
CID 7026116
2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide
CID 61029814
2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]-N-methylpropanamide
CID 130567345
1-[1-[[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19470951
3-amino-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 62904276
2-[4-(2-aminoethyl)triazol-1-yl]-N-methylpropanamide
CID 116642219
2-(4-formyltriazol-1-yl)-N-methylpropanamide
CID 66216391
1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19504919
1-[1-oxo-1-[1-(4-propan-2-ylphenyl)ethylamino]propan-2-yl]pyrazole-4-carboxylic acid
CID 19504978
1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19622412

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylpyrazol-1-yl)-N-methylpropanamide?
The IUPAC name of 2-(4-carbamothioylpyrazol-1-yl)-N-methylpropanamide (CID 130573531) is 2-(4-carbamothioylpyrazol-1-yl)-N-methylpropanamide.
What is the SMILES notation for 2-(4-carbamothioylpyrazol-1-yl)-N-methylpropanamide?
The canonical SMILES for 2-(4-carbamothioylpyrazol-1-yl)-N-methylpropanamide is CNC(=O)C(C)n1cc(C(N)=S)cn1.
What is the InChIKey of 2-(4-carbamothioylpyrazol-1-yl)-N-methylpropanamide?
The InChIKey is SUCZICNXTXQQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-5(8(13)10-2)12-4-6(3-11-12)7(9)14/h3-5H,1-2H3,(H2,9,14)(H,10,13).
What are the key properties of 2-(4-carbamothioylpyrazol-1-yl)-N-methylpropanamide?
2-(4-carbamothioylpyrazol-1-yl)-N-methylpropanamide has a molecular weight of 212.28 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylpyrazol-1-yl)-N-methylpropanamide is sourced from PubChem (CID 130573531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).