5-(3-methylsulfonylphenyl)-1H-pyrazolo[4,3-d]pyrimidine

C12H10N4O2S — CID 141347023

IUPAC5-(3-methylsulfonylphenyl)-1H-pyrazolo[4,3-d]pyrimidine
SMILESCS(=O)(=O)c1cccc(-c2ncc3[nH]ncc3n2)c1
InChIInChI=1S/C12H10N4O2S/c1-19(17,18)9-4-2-3-8(5-9)12-13-6-11-10(15-12)7-14-16-11/h2-7H,1H3,(H,14,16)
InChIKeyCXZOLPLIHJBYIB-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.42
Rot. Bonds2

About 5-(3-methylsulfonylphenyl)-1H-pyrazolo[4,3-d]pyrimidine

5-(3-methylsulfonylphenyl)-1H-pyrazolo[4,3-d]pyrimidine (PubChem CID 141347023) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 5-(3-methylsulfonylphenyl)-1H-pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name5-(3-methylsulfonylphenyl)-1H-pyrazolo[4,3-d]pyrimidine
PubChem CID141347023
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC Name5-(3-methylsulfonylphenyl)-1H-pyrazolo[4,3-d]pyrimidine
SMILESCS(=O)(=O)c1cccc(-c2ncc3[nH]ncc3n2)c1
InChIInChI=1S/C12H10N4O2S/c1-19(17,18)9-4-2-3-8(5-9)12-13-6-11-10(15-12)7-14-16-11/h2-7H,1H3,(H,14,16)
InChIKeyCXZOLPLIHJBYIB-UHFFFAOYSA-N
XLogP1.42
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[2-(3-methylsulfonylphenyl)pyrimidin-4-yl]-1H-indazol-4-amine
CID 66930985
9-methyl-2-(3-methylsulfonylphenyl)purine
CID 157019407
3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 167938781
N-(4-chloro-1H-indazol-5-yl)-3-(3-methylsulfonylphenyl)-1,2,4-thiadiazol-5-amine;2,2,2-trifluoroacetic acid
CID 157412780
2,5-dimethyl-3-(3-methylsulfonylphenyl)-1H-pyrrolo[3,2-b]pyridine
CID 151223265
3-(3-methylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117419417
3-(3-methylsulfonylphenyl)pyridine;hydrochloride
CID 53406635
6-(3-methylsulfonylphenyl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 166400304
7-(3-methylsulfonylphenyl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 166400311
6-(furan-2-yl)-2-(3-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
CID 23025813
6-(2-bromophenyl)-2-(3-methylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 11363697
4-(3-methylsulfonylphenyl)pyridine;hydrochloride
CID 170341986

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylsulfonylphenyl)-1H-pyrazolo[4,3-d]pyrimidine?
The IUPAC name of 5-(3-methylsulfonylphenyl)-1H-pyrazolo[4,3-d]pyrimidine (CID 141347023) is 5-(3-methylsulfonylphenyl)-1H-pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 5-(3-methylsulfonylphenyl)-1H-pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 5-(3-methylsulfonylphenyl)-1H-pyrazolo[4,3-d]pyrimidine is CS(=O)(=O)c1cccc(-c2ncc3[nH]ncc3n2)c1.
What is the InChIKey of 5-(3-methylsulfonylphenyl)-1H-pyrazolo[4,3-d]pyrimidine?
The InChIKey is CXZOLPLIHJBYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c1-19(17,18)9-4-2-3-8(5-9)12-13-6-11-10(15-12)7-14-16-11/h2-7H,1H3,(H,14,16).
What are the key properties of 5-(3-methylsulfonylphenyl)-1H-pyrazolo[4,3-d]pyrimidine?
5-(3-methylsulfonylphenyl)-1H-pyrazolo[4,3-d]pyrimidine has a molecular weight of 274.31 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylsulfonylphenyl)-1H-pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 141347023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).