4-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

C12H12ClN3O2S — CID 100614196

IUPAC4-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCCn2nccc21
InChIInChI=1S/C12H12ClN3O2S/c13-10-3-1-4-11(9-10)19(17,18)16-8-2-7-15-12(16)5-6-14-15/h1,3-6,9H,2,7-8H2
InChIKeyIODUWGLTKKNDAO-UHFFFAOYSA-N
MW297.77 g/mol
LogP2.14
Rot. Bonds2

About 4-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

4-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (PubChem CID 100614196) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 4-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name4-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
PubChem CID100614196
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name4-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCCn2nccc21
InChIInChI=1S/C12H12ClN3O2S/c13-10-3-1-4-11(9-10)19(17,18)16-8-2-7-15-12(16)5-6-14-15/h1,3-6,9H,2,7-8H2
InChIKeyIODUWGLTKKNDAO-UHFFFAOYSA-N
XLogP2.14
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(1-methyl-1H-pyrazol-5-yl)benzene-1-sulfonamide
CID 3601935
N-[(E)-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)methylideneamino]-N-methylbenzenesulfonamide
CID 122188250
1-(2-(1H-pyrazol-1-yl)ethyl)-4-((3-chlorophenyl)sulfonyl)piperazine
CID 71783854
2-chloro-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 2808931
3-chloro-2-fluoro-N-(1-methyl-1H-pyrazol-3-yl)benzene-1-sulfonamide
CID 60531983
2-chloro-N-(2-ethylpyrazol-3-yl)-4-fluorobenzenesulfonamide
CID 4463380
3-chloro-4-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 16377885
N-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)-3-chloro-4-fluorobenzenesulfonamide
CID 121135051
3-chloro-2-fluoro-N-(1-propan-2-ylpyrazol-3-yl)benzenesulfonamide
CID 121586819
3-chloro-2-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]benzenesulfonamide
CID 166234835
3-chloro-2-fluoro-N-[1-(2-fluoroethyl)pyrazol-3-yl]benzenesulfonamide
CID 167972539
3-chloro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 2808910

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 4-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (CID 100614196) is 4-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 4-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 4-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is O=S(=O)(c1cccc(Cl)c1)N1CCCn2nccc21.
What is the InChIKey of 4-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The InChIKey is IODUWGLTKKNDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c13-10-3-1-4-11(9-10)19(17,18)16-8-2-7-15-12(16)5-6-14-15/h1,3-6,9H,2,7-8H2.
What are the key properties of 4-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
4-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 297.77 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 100614196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).