6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carbothioamide

C14H11N5S — CID 58336759

IUPAC6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carbothioamide
SMILESNC(=S)c1cccc(-c2cnn(-c3cccnc3)c2)n1
InChIInChI=1S/C14H11N5S/c15-14(20)13-5-1-4-12(18-13)10-7-17-19(9-10)11-3-2-6-16-8-11/h1-9H,(H2,15,20)
InChIKeyBPVDBUIFVWSDTM-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.96
Rot. Bonds3

About 6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carbothioamide

6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carbothioamide (PubChem CID 58336759) has the molecular formula C14H11N5S and a molecular weight of 281.34 g/mol. Its IUPAC name is 6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carbothioamide
PubChem CID58336759
Molecular FormulaC14H11N5S
Molecular Weight281.34 g/mol
Exact Mass281.07
IUPAC Name6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carbothioamide
SMILESNC(=S)c1cccc(-c2cnn(-c3cccnc3)c2)n1
InChIInChI=1S/C14H11N5S/c15-14(20)13-5-1-4-12(18-13)10-7-17-19(9-10)11-3-2-6-16-8-11/h1-9H,(H2,15,20)
InChIKeyBPVDBUIFVWSDTM-UHFFFAOYSA-N
XLogP1.96
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine
CID 123917950
morpholin-4-yl-[6-(1-pyridin-3-ylpyrazol-4-yl)-2-pyridinyl]methanone
CID 58336841
2-pyrazol-1-yl-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine
CID 58336838
2-benzylsulfonyl-1-[6-(1-pyridin-3-ylpyrazol-4-yl)-2-pyridinyl]ethanone
CID 148635034
N-(2-cyclopropylpropyl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 68623634
1-[6-(1-pyridin-3-ylpyrazol-4-yl)-2-pyridinyl]piperidin-2-one
CID 58336742
2-(5,7-dioxaspiro[2.5]octan-6-yl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine
CID 58336794
4-pyridin-2-yl-2-(1-pyridin-3-ylpyrazol-4-yl)-1,3-thiazole
CID 58336755
6-pyrimidin-2-ylpyridine-2-carbothioamide
CID 87690420
6-pyridin-3-yloxypyridine-2-carbothioamide
CID 64594143
9-methyl-4-(1-pyridin-3-ylpyrazol-4-yl)-8λ6-thia-3,9,14-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaene 8,8-dioxide
CID 75202676
3-chloro-2-[3-(1-pyridin-3-ylpyrazol-4-yl)pyrazol-1-yl]pyridine
CID 58336788

Frequently Asked Questions

What is the IUPAC name of 6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carbothioamide?
The IUPAC name of 6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carbothioamide (CID 58336759) is 6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carbothioamide.
What is the SMILES notation for 6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carbothioamide?
The canonical SMILES for 6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carbothioamide is NC(=S)c1cccc(-c2cnn(-c3cccnc3)c2)n1.
What is the InChIKey of 6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carbothioamide?
The InChIKey is BPVDBUIFVWSDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5S/c15-14(20)13-5-1-4-12(18-13)10-7-17-19(9-10)11-3-2-6-16-8-11/h1-9H,(H2,15,20).
What are the key properties of 6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carbothioamide?
6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carbothioamide has a molecular weight of 281.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carbothioamide is sourced from PubChem (CID 58336759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).