1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole

C17H15ClN6O2S — CID 19588122

IUPAC1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole
SMILESCn1cc(-c2cc(-c3cnn(C)c3)n(S(=O)(=O)c3ccc(Cl)cc3)n2)cn1
InChIInChI=1S/C17H15ClN6O2S/c1-22-10-12(8-19-22)16-7-17(13-9-20-23(2)11-13)24(21-16)27(25,26)15-5-3-14(18)4-6-15/h3-11H,1-2H3
InChIKeyNFQOGQBPIKUWHK-UHFFFAOYSA-N
MW402.87 g/mol
LogP2.57
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole

1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole (PubChem CID 19588122) has the molecular formula C17H15ClN6O2S and a molecular weight of 402.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole
PubChem CID19588122
Molecular FormulaC17H15ClN6O2S
Molecular Weight402.87 g/mol
Exact Mass402.07
IUPAC Name1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole
SMILESCn1cc(-c2cc(-c3cnn(C)c3)n(S(=O)(=O)c3ccc(Cl)cc3)n2)cn1
InChIInChI=1S/C17H15ClN6O2S/c1-22-10-12(8-19-22)16-7-17(13-9-20-23(2)11-13)24(21-16)27(25,26)15-5-3-14(18)4-6-15/h3-11H,1-2H3
InChIKeyNFQOGQBPIKUWHK-UHFFFAOYSA-N
XLogP2.57
TPSA87.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.87
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2-chlorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 1510476
1,3-dimethyl-N-[(1-methyl-1H-pyrazol-3-yl)methyl]-N-(2-phenylethyl)-1H-pyrazole-4-sulfonamide
CID 29089490
1,5-dimethyl-N-[(1-methyl-1H-pyrazol-3-yl)methyl]-N-(2-phenylethyl)-1H-pyrazole-4-sulfonamide
CID 29089959
4-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]benzenesulfonamide
CID 6873665
2~1~-[(3-chlorophenyl)methyl]-1~1~,3~1~-dimethyl-1~1~H,2~1~H,3~1~H-1~4~,2~3~:2~5~,3~4~-terpyrazole
CID 17026020
2~1~-[(4-chlorophenyl)methyl]-1~1~,1~3~,3~1~,3~3~-tetramethyl-1~1~H,2~1~H,3~1~H-1~4~,2~3~:2~5~,3~4~-terpyrazole
CID 19588056
4-{[3-(4-fluorophenyl)-1H-pyrazol-1-yl]sulfonyl}-1,3-dimethyl-1H-pyrazole
CID 19615281
3-[5-[1-(4-Chlorophenyl)sulfonylpyrazol-3-yl]thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole
CID 2820325
1-(4-Chlorophenyl)sulfonyl-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole
CID 19588108
1-(Benzenesulfonyl)-4-chloro-3,5-bis(1-methylpyrazol-4-yl)pyrazole
CID 19588116
1~1~,1~5~,3~1~,3~5~-tetramethyl-2~1~-(1-methyl-1H-pyrazole-4-sulfonyl)-1~1~H,2~1~H,3~1~H-1~4~,2~3~:2~5~,3~4~-terpyrazole
CID 19588239
1-(Benzenesulfonyl)-4-chloro-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole
CID 19588269

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole (CID 19588122) is 1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole is Cn1cc(-c2cc(-c3cnn(C)c3)n(S(=O)(=O)c3ccc(Cl)cc3)n2)cn1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole?
The InChIKey is NFQOGQBPIKUWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6O2S/c1-22-10-12(8-19-22)16-7-17(13-9-20-23(2)11-13)24(21-16)27(25,26)15-5-3-14(18)4-6-15/h3-11H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole?
1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole has a molecular weight of 402.87 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole is sourced from PubChem (CID 19588122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).