2-(4-methylpyrazol-1-yl)pyridine-3-carbothioamide

C10H10N4S — CID 60872533

IUPAC2-(4-methylpyrazol-1-yl)pyridine-3-carbothioamide
SMILESCc1cnn(-c2ncccc2C(N)=S)c1
InChIInChI=1S/C10H10N4S/c1-7-5-13-14(6-7)10-8(9(11)15)3-2-4-12-10/h2-6H,1H3,(H2,11,15)
InChIKeyRTIDUVVJLXMKGM-UHFFFAOYSA-N
MW218.28 g/mol
LogP1.21
Rot. Bonds2

About 2-(4-methylpyrazol-1-yl)pyridine-3-carbothioamide

2-(4-methylpyrazol-1-yl)pyridine-3-carbothioamide (PubChem CID 60872533) has the molecular formula C10H10N4S and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)pyridine-3-carbothioamide
PubChem CID60872533
Molecular FormulaC10H10N4S
Molecular Weight218.28 g/mol
Exact Mass218.06
IUPAC Name2-(4-methylpyrazol-1-yl)pyridine-3-carbothioamide
SMILESCc1cnn(-c2ncccc2C(N)=S)c1
InChIInChI=1S/C10H10N4S/c1-7-5-13-14(6-7)10-8(9(11)15)3-2-4-12-10/h2-6H,1H3,(H2,11,15)
InChIKeyRTIDUVVJLXMKGM-UHFFFAOYSA-N
XLogP1.21
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2,4-triazol-1-yl)pyridine-3-carbothioamide
CID 24696176
[2-(4-methylpyrazol-1-yl)-3-pyridinyl]methanamine
CID 60871926
3-(4-methylpyrazol-1-yl)pyrazine-2-carboxamide
CID 155661725
2-(4-carbamoylpyrazol-1-yl)pyridine-3-carboxylic acid
CID 64782904
2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-3-carbothioamide
CID 62130588
2-(4-methylpiperidin-1-yl)pyridine-3-carbothioamide
CID 24705416
1-(3-carbamothioyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64782101
1-(3-carbamothioyl-2-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 64780765
2-chloro-6-(4-methylpyrazol-1-yl)benzenecarbothioamide
CID 62497554
2-[4-(aminomethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
CID 84785993
2-(2,6-dimethylmorpholin-4-yl)pyridine-3-carbothioamide
CID 24693283
N'-hydroxy-2-(4-methylpyrazol-1-yl)benzenecarboximidamide
CID 60872141

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)pyridine-3-carbothioamide?
The IUPAC name of 2-(4-methylpyrazol-1-yl)pyridine-3-carbothioamide (CID 60872533) is 2-(4-methylpyrazol-1-yl)pyridine-3-carbothioamide.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)pyridine-3-carbothioamide?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)pyridine-3-carbothioamide is Cc1cnn(-c2ncccc2C(N)=S)c1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)pyridine-3-carbothioamide?
The InChIKey is RTIDUVVJLXMKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S/c1-7-5-13-14(6-7)10-8(9(11)15)3-2-4-12-10/h2-6H,1H3,(H2,11,15).
What are the key properties of 2-(4-methylpyrazol-1-yl)pyridine-3-carbothioamide?
2-(4-methylpyrazol-1-yl)pyridine-3-carbothioamide has a molecular weight of 218.28 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)pyridine-3-carbothioamide is sourced from PubChem (CID 60872533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).