1-(3-carbamothioyl-6-methyl-2-pyridinyl)pyrazole-3-carboxamide

C11H11N5OS — CID 64782845

IUPAC1-(3-carbamothioyl-6-methyl-2-pyridinyl)pyrazole-3-carboxamide
SMILESCc1ccc(C(N)=S)c(-n2ccc(C(N)=O)n2)n1
InChIInChI=1S/C11H11N5OS/c1-6-2-3-7(10(13)18)11(14-6)16-5-4-8(15-16)9(12)17/h2-5H,1H3,(H2,12,17)(H2,13,18)
InChIKeyFGVBRASDVZYHDY-UHFFFAOYSA-N
MW261.31 g/mol
LogP0.31
Rot. Bonds3

About 1-(3-carbamothioyl-6-methyl-2-pyridinyl)pyrazole-3-carboxamide

1-(3-carbamothioyl-6-methyl-2-pyridinyl)pyrazole-3-carboxamide (PubChem CID 64782845) has the molecular formula C11H11N5OS and a molecular weight of 261.31 g/mol. Its IUPAC name is 1-(3-carbamothioyl-6-methyl-2-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-carbamothioyl-6-methyl-2-pyridinyl)pyrazole-3-carboxamide
PubChem CID64782845
Molecular FormulaC11H11N5OS
Molecular Weight261.31 g/mol
Exact Mass261.07
IUPAC Name1-(3-carbamothioyl-6-methyl-2-pyridinyl)pyrazole-3-carboxamide
SMILESCc1ccc(C(N)=S)c(-n2ccc(C(N)=O)n2)n1
InChIInChI=1S/C11H11N5OS/c1-6-2-3-7(10(13)18)11(14-6)16-5-4-8(15-16)9(12)17/h2-5H,1H3,(H2,12,17)(H2,13,18)
InChIKeyFGVBRASDVZYHDY-UHFFFAOYSA-N
XLogP0.31
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 50.31
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

8-[4-[2-(dimethylamino)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135567109
4-bromo-2-methyl-N-(4-pyridin-2-ylpiperazine-1-carbothioyl)pyrazole-3-carboxamide
CID 1028192
US11649231, Example 1-56
CID 152576692
N,N-Dimethyl-6-(1H-pyrazol-1-yl)-3-pyridinecarboxamide
CID 3758868
4-bromo-1-methyl-N-(4-pyridin-2-ylpiperazine-1-carbothioyl)pyrazole-3-carboxamide
CID 1224932
N-methyl-N-[4-[(6-pyrazol-1-yl-2-pyridinyl)methylamino]butyl]benzamide
CID 10570712
3-methyl-N-[4-[(6-pyrazol-1-yl-2-pyridinyl)methylamino]butyl]benzamide
CID 10690094
1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-pyridin-4-ylpyrazole-3-carboxamide
CID 71580019
5-[2-[(Cyclopropylcarbonyl)amino]-4-pyridinyl]-1-methyl-1H-pyrazole-3-carboxamide
CID 118732149
1-Methyl-1H-pyrazole-3-carboxylic acid pyridin-3-ylmethylene-hydrazide
CID 9563201
N-(pyridin-2-yl)-1H-pyrazole-3-carboxamide
CID 66939548
N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrazol-1-ylpyrimidine-4-carboxamide
CID 153321087

Frequently Asked Questions

What is the IUPAC name of 1-(3-carbamothioyl-6-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(3-carbamothioyl-6-methyl-2-pyridinyl)pyrazole-3-carboxamide (CID 64782845) is 1-(3-carbamothioyl-6-methyl-2-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-carbamothioyl-6-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-carbamothioyl-6-methyl-2-pyridinyl)pyrazole-3-carboxamide is Cc1ccc(C(N)=S)c(-n2ccc(C(N)=O)n2)n1.
What is the InChIKey of 1-(3-carbamothioyl-6-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is FGVBRASDVZYHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS/c1-6-2-3-7(10(13)18)11(14-6)16-5-4-8(15-16)9(12)17/h2-5H,1H3,(H2,12,17)(H2,13,18).
What are the key properties of 1-(3-carbamothioyl-6-methyl-2-pyridinyl)pyrazole-3-carboxamide?
1-(3-carbamothioyl-6-methyl-2-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 261.31 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carbamothioyl-6-methyl-2-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 64782845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).