5-(4-chloro-3-methylpyrazol-1-yl)pyridine-2-carbothioamide

C10H9ClN4S — CID 115488791

IUPAC5-(4-chloro-3-methylpyrazol-1-yl)pyridine-2-carbothioamide
SMILESCc1nn(-c2ccc(C(N)=S)nc2)cc1Cl
InChIInChI=1S/C10H9ClN4S/c1-6-8(11)5-15(14-6)7-2-3-9(10(12)16)13-4-7/h2-5H,1H3,(H2,12,16)
InChIKeyLPEHFGNEIIQRRU-UHFFFAOYSA-N
MW252.73 g/mol
LogP1.86
Rot. Bonds2

About 5-(4-chloro-3-methylpyrazol-1-yl)pyridine-2-carbothioamide

5-(4-chloro-3-methylpyrazol-1-yl)pyridine-2-carbothioamide (PubChem CID 115488791) has the molecular formula C10H9ClN4S and a molecular weight of 252.73 g/mol. Its IUPAC name is 5-(4-chloro-3-methylpyrazol-1-yl)pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-(4-chloro-3-methylpyrazol-1-yl)pyridine-2-carbothioamide
PubChem CID115488791
Molecular FormulaC10H9ClN4S
Molecular Weight252.73 g/mol
Exact Mass252.02
IUPAC Name5-(4-chloro-3-methylpyrazol-1-yl)pyridine-2-carbothioamide
SMILESCc1nn(-c2ccc(C(N)=S)nc2)cc1Cl
InChIInChI=1S/C10H9ClN4S/c1-6-8(11)5-15(14-6)7-2-3-9(10(12)16)13-4-7/h2-5H,1H3,(H2,12,16)
InChIKeyLPEHFGNEIIQRRU-UHFFFAOYSA-N
XLogP1.86
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 51.86
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

(1R)-1-[5-(4-chloro-3-methylpyrazol-1-yl)-2-pyridinyl]propan-1-ol
CID 103939000
5-(4-bromopyrazol-1-yl)pyridine-2-carbothioamide
CID 115488780
5-(4-iodopyrazol-1-yl)pyridine-2-carbothioamide
CID 115488790
5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-2-carbothioamide
CID 115488785
5-(2-methylimidazol-1-yl)pyridine-2-carbothioamide
CID 115488775
N-[1-[5-(4-chloro-3-methylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine
CID 83127342
5-(4-methyl-1,4-diazepan-1-yl)pyridine-2-carbothioamide
CID 113320771
5-(3,4-dimethylpiperazin-1-yl)pyridine-2-carbothioamide
CID 115488609
4-(4-chloro-3-methylpyrazol-1-yl)-N'-hydroxy-2-(trifluoromethyl)benzenecarboximidamide
CID 77037627
3-methyl-1-phenylpyrazole-4-carbothioamide
CID 15166191
5-[3-(diethylamino)pyrrolidin-1-yl]pyridine-2-carbothioamide
CID 115488587
5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carbothioamide
CID 115488133

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-methylpyrazol-1-yl)pyridine-2-carbothioamide?
The IUPAC name of 5-(4-chloro-3-methylpyrazol-1-yl)pyridine-2-carbothioamide (CID 115488791) is 5-(4-chloro-3-methylpyrazol-1-yl)pyridine-2-carbothioamide.
What is the SMILES notation for 5-(4-chloro-3-methylpyrazol-1-yl)pyridine-2-carbothioamide?
The canonical SMILES for 5-(4-chloro-3-methylpyrazol-1-yl)pyridine-2-carbothioamide is Cc1nn(-c2ccc(C(N)=S)nc2)cc1Cl.
What is the InChIKey of 5-(4-chloro-3-methylpyrazol-1-yl)pyridine-2-carbothioamide?
The InChIKey is LPEHFGNEIIQRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4S/c1-6-8(11)5-15(14-6)7-2-3-9(10(12)16)13-4-7/h2-5H,1H3,(H2,12,16).
What are the key properties of 5-(4-chloro-3-methylpyrazol-1-yl)pyridine-2-carbothioamide?
5-(4-chloro-3-methylpyrazol-1-yl)pyridine-2-carbothioamide has a molecular weight of 252.73 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-methylpyrazol-1-yl)pyridine-2-carbothioamide is sourced from PubChem (CID 115488791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).