1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylsulfanyl)pyrazole-5-carboxamide

C12H11ClN4O2S — CID 155756193

IUPAC1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylsulfanyl)pyrazole-5-carboxamide
SMILESNC(=O)c1cc(SC2COC2)nn1-c1ncccc1Cl
InChIInChI=1S/C12H11ClN4O2S/c13-8-2-1-3-15-12(8)17-9(11(14)18)4-10(16-17)20-7-5-19-6-7/h1-4,7H,5-6H2,(H2,14,18)
InChIKeyIDDKOEHPWFVXPV-UHFFFAOYSA-N
MW310.77 g/mol
LogP1.51
Rot. Bonds4

About 1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylsulfanyl)pyrazole-5-carboxamide

1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylsulfanyl)pyrazole-5-carboxamide (PubChem CID 155756193) has the molecular formula C12H11ClN4O2S and a molecular weight of 310.77 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylsulfanyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylsulfanyl)pyrazole-5-carboxamide
PubChem CID155756193
Molecular FormulaC12H11ClN4O2S
Molecular Weight310.77 g/mol
Exact Mass310.03
IUPAC Name1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylsulfanyl)pyrazole-5-carboxamide
SMILESNC(=O)c1cc(SC2COC2)nn1-c1ncccc1Cl
InChIInChI=1S/C12H11ClN4O2S/c13-8-2-1-3-15-12(8)17-9(11(14)18)4-10(16-17)20-7-5-19-6-7/h1-4,7H,5-6H2,(H2,14,18)
InChIKeyIDDKOEHPWFVXPV-UHFFFAOYSA-N
XLogP1.51
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.77
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylsulfanyl)pyrazole-5-carboxamide
CID 150730200
N-[4-chloro-2-(3,3-difluoroazetidine-1-carbonyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylsulfanyl)pyrazole-5-carboxamide
CID 139373134
3-chloro-2-(oxetan-3-ylsulfanyl)pyridine
CID 130677959
1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide
CID 154110164
1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl chloride
CID 18446928
1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylic acid
CID 58320703
2-(3-chloro-2-pyridinyl)pyrazole-3-carboxylic acid
CID 66853862
1-(3-chloro-2-pyridinyl)-3-formylpyrazole-5-carboxylic acid
CID 118413128
ethyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate
CID 58591624
1-(3-chloro-2-pyridinyl)-3-(nitrosomethyl)pyrazole-5-carboxylic acid
CID 123366023
3-[3-bromo-4-chloro-2-methyl-6-(methylcarbamothioyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 155126846
(2,5-dioxopyrrolidin-1-yl) 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate
CID 175730871

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylsulfanyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylsulfanyl)pyrazole-5-carboxamide (CID 155756193) is 1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylsulfanyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylsulfanyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylsulfanyl)pyrazole-5-carboxamide is NC(=O)c1cc(SC2COC2)nn1-c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylsulfanyl)pyrazole-5-carboxamide?
The InChIKey is IDDKOEHPWFVXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2S/c13-8-2-1-3-15-12(8)17-9(11(14)18)4-10(16-17)20-7-5-19-6-7/h1-4,7H,5-6H2,(H2,14,18).
What are the key properties of 1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylsulfanyl)pyrazole-5-carboxamide?
1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylsulfanyl)pyrazole-5-carboxamide has a molecular weight of 310.77 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylsulfanyl)pyrazole-5-carboxamide is sourced from PubChem (CID 155756193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).