1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-sulfonyl chloride

C6H7ClN2O2S — CID 86812428

IUPAC1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1n[nH]c2c1CCC2
InChIInChI=1S/C6H7ClN2O2S/c7-12(10,11)6-4-2-1-3-5(4)8-9-6/h1-3H2,(H,8,9)
InChIKeyDUKQZMUCKXXZEG-UHFFFAOYSA-N
MW206.65 g/mol
LogP0.83
Rot. Bonds1

About 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-sulfonyl chloride

1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-sulfonyl chloride (PubChem CID 86812428) has the molecular formula C6H7ClN2O2S and a molecular weight of 206.65 g/mol. Its IUPAC name is 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-sulfonyl chloride.

Molecular Properties

Compound Name1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-sulfonyl chloride
PubChem CID86812428
Molecular FormulaC6H7ClN2O2S
Molecular Weight206.65 g/mol
Exact Mass205.99
IUPAC Name1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1n[nH]c2c1CCC2
InChIInChI=1S/C6H7ClN2O2S/c7-12(10,11)6-4-2-1-3-5(4)8-9-6/h1-3H2,(H,8,9)
InChIKeyDUKQZMUCKXXZEG-UHFFFAOYSA-N
XLogP0.83
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.65
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 163788791
3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 59820661
3-(difluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 19616684
1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonitrile
CID 23135139
3-(trichloromethyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole
CID 11032853
(1S)-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanamine
CID 82414484
4-methylsulfonyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione
CID 83856400
3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 11159621
3-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;dihydrochloride
CID 138039911
N-cyclopropyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine
CID 63048851
4,5,6,7-tetrahydro-1H-indazol-3-ylmethanamine
CID 3163200
N-[2-(dimethylsulfamoyl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 119074036

Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-sulfonyl chloride?
The IUPAC name of 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-sulfonyl chloride (CID 86812428) is 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-sulfonyl chloride.
What is the SMILES notation for 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-sulfonyl chloride?
The canonical SMILES for 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-sulfonyl chloride is O=S(=O)(Cl)c1n[nH]c2c1CCC2.
What is the InChIKey of 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-sulfonyl chloride?
The InChIKey is DUKQZMUCKXXZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2S/c7-12(10,11)6-4-2-1-3-5(4)8-9-6/h1-3H2,(H,8,9).
What are the key properties of 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-sulfonyl chloride?
1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-sulfonyl chloride has a molecular weight of 206.65 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-sulfonyl chloride is sourced from PubChem (CID 86812428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).