1-(4-chlorophenyl)sulfonyl-5-cyclopropylpyrazole-4-carbonitrile

C13H10ClN3O2S — CID 2822895

IUPAC1-(4-chlorophenyl)sulfonyl-5-cyclopropylpyrazole-4-carbonitrile
SMILESN#Cc1cnn(S(=O)(=O)c2ccc(Cl)cc2)c1C1CC1
InChIInChI=1S/C13H10ClN3O2S/c14-11-3-5-12(6-4-11)20(18,19)17-13(9-1-2-9)10(7-15)8-16-17/h3-6,8-9H,1-2H2
InChIKeySANKJJCHHLEOAG-UHFFFAOYSA-N
MW307.76 g/mol
LogP2.52
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-5-cyclopropylpyrazole-4-carbonitrile

1-(4-chlorophenyl)sulfonyl-5-cyclopropylpyrazole-4-carbonitrile (PubChem CID 2822895) has the molecular formula C13H10ClN3O2S and a molecular weight of 307.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-5-cyclopropylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-5-cyclopropylpyrazole-4-carbonitrile
PubChem CID2822895
Molecular FormulaC13H10ClN3O2S
Molecular Weight307.76 g/mol
Exact Mass307.02
IUPAC Name1-(4-chlorophenyl)sulfonyl-5-cyclopropylpyrazole-4-carbonitrile
SMILESN#Cc1cnn(S(=O)(=O)c2ccc(Cl)cc2)c1C1CC1
InChIInChI=1S/C13H10ClN3O2S/c14-11-3-5-12(6-4-11)20(18,19)17-13(9-1-2-9)10(7-15)8-16-17/h3-6,8-9H,1-2H2
InChIKeySANKJJCHHLEOAG-UHFFFAOYSA-N
XLogP2.52
TPSA75.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-5-cyclopropylpyrazole-4-carbonitrile?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-5-cyclopropylpyrazole-4-carbonitrile (CID 2822895) is 1-(4-chlorophenyl)sulfonyl-5-cyclopropylpyrazole-4-carbonitrile.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-5-cyclopropylpyrazole-4-carbonitrile?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-5-cyclopropylpyrazole-4-carbonitrile is N#Cc1cnn(S(=O)(=O)c2ccc(Cl)cc2)c1C1CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-5-cyclopropylpyrazole-4-carbonitrile?
The InChIKey is SANKJJCHHLEOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S/c14-11-3-5-12(6-4-11)20(18,19)17-13(9-1-2-9)10(7-15)8-16-17/h3-6,8-9H,1-2H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-5-cyclopropylpyrazole-4-carbonitrile?
1-(4-chlorophenyl)sulfonyl-5-cyclopropylpyrazole-4-carbonitrile has a molecular weight of 307.76 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-5-cyclopropylpyrazole-4-carbonitrile is sourced from PubChem (CID 2822895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).