2-[(4-chlorophenyl)sulfanylmethyl]-(1,2-15N2)1H-pyrazol-5-one

C10H9ClN2OS — CID 71458813

IUPAC2-[(4-chlorophenyl)sulfanylmethyl]-(1,2-15N2)1H-pyrazol-5-one
SMILESO=c1cc[15n](CSc2ccc(Cl)cc2)[15nH]1
InChIInChI=1S/C10H9ClN2OS/c11-8-1-3-9(4-2-8)15-7-13-6-5-10(14)12-13/h1-6H,7H2,(H,12,14)/i12+1,13+1
InChIKeyQJZUJHIDWKRANS-ULRYTFMMSA-N
MW242.70 g/mol
LogP2.58
Rot. Bonds3

About 2-[(4-chlorophenyl)sulfanylmethyl]-(1,2-15N2)1H-pyrazol-5-one

2-[(4-chlorophenyl)sulfanylmethyl]-(1,2-15N2)1H-pyrazol-5-one (PubChem CID 71458813) has the molecular formula C10H9ClN2OS and a molecular weight of 242.70 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfanylmethyl]-(1,2-15N2)1H-pyrazol-5-one.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfanylmethyl]-(1,2-15N2)1H-pyrazol-5-one
PubChem CID71458813
Molecular FormulaC10H9ClN2OS
Molecular Weight242.70 g/mol
Exact Mass242.01
IUPAC Name2-[(4-chlorophenyl)sulfanylmethyl]-(1,2-15N2)1H-pyrazol-5-one
SMILESO=c1cc[15n](CSc2ccc(Cl)cc2)[15nH]1
InChIInChI=1S/C10H9ClN2OS/c11-8-1-3-9(4-2-8)15-7-13-6-5-10(14)12-13/h1-6H,7H2,(H,12,14)/i12+1,13+1
InChIKeyQJZUJHIDWKRANS-ULRYTFMMSA-N
XLogP2.58
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-1H-pyrazol-5-ol
CID 3842739
5-((4-Chlorophenylthio)methyl)-1H-pyrazol-3(2H)-one
CID 34363640
2-[(4-chlorophenyl)sulfanylmethyl]-1H-pyrazol-5-one
CID 78074443
1,3-Dimethyl-4-(2-chlorophenylthio)-5-hydroxypyrazole
CID 19778081
4-((4-Chlorophenyl)thio)-1,3-dimethyl-1H-pyrazol-5-ol
CID 19778087
2-[2-(4-chlorophenyl)sulfanylpropyl]-5-methyl-1H-pyrazol-3-one
CID 20570950
5-[(4-chlorophenyl)sulfinylmethyl]-2-methyl-1H-pyrazol-3-one
CID 46215085
3-[(4-chlorophenyl)sulfinylmethyl]-2-methyl-1H-pyrazol-5-one
CID 46215086
3-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-1H-pyrazol-5-one
CID 46215258
3-[(2-chlorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazol-5-one
CID 58453239
5-[(2-chlorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazol-3-one
CID 58453289
3-[(3-chlorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazol-5-one
CID 58453290

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]-(1,2-15N2)1H-pyrazol-5-one?
The IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]-(1,2-15N2)1H-pyrazol-5-one (CID 71458813) is 2-[(4-chlorophenyl)sulfanylmethyl]-(1,2-15N2)1H-pyrazol-5-one.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfanylmethyl]-(1,2-15N2)1H-pyrazol-5-one?
The canonical SMILES for 2-[(4-chlorophenyl)sulfanylmethyl]-(1,2-15N2)1H-pyrazol-5-one is O=c1cc[15n](CSc2ccc(Cl)cc2)[15nH]1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfanylmethyl]-(1,2-15N2)1H-pyrazol-5-one?
The InChIKey is QJZUJHIDWKRANS-ULRYTFMMSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c11-8-1-3-9(4-2-8)15-7-13-6-5-10(14)12-13/h1-6H,7H2,(H,12,14)/i12+1,13+1.
What are the key properties of 2-[(4-chlorophenyl)sulfanylmethyl]-(1,2-15N2)1H-pyrazol-5-one?
2-[(4-chlorophenyl)sulfanylmethyl]-(1,2-15N2)1H-pyrazol-5-one has a molecular weight of 242.70 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfanylmethyl]-(1,2-15N2)1H-pyrazol-5-one is sourced from PubChem (CID 71458813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).