6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(3-methylsulfonylphenyl)indazole

C20H19ClN4O2S — CID 175789695

IUPAC6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(3-methylsulfonylphenyl)indazole
SMILESCc1ccn(C(C)c2nn(-c3cccc(S(C)(=O)=O)c3)c3cc(Cl)ccc23)n1
InChIInChI=1S/C20H19ClN4O2S/c1-13-9-10-24(22-13)14(2)20-18-8-7-15(21)11-19(18)25(23-20)16-5-4-6-17(12-16)28(3,26)27/h4-12,14H,1-3H3
InChIKeyLAMLDUJLSAETOL-UHFFFAOYSA-N
MW414.92 g/mol
LogP4.20
Rot. Bonds4

About 6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(3-methylsulfonylphenyl)indazole

6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(3-methylsulfonylphenyl)indazole (PubChem CID 175789695) has the molecular formula C20H19ClN4O2S and a molecular weight of 414.92 g/mol. Its IUPAC name is 6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(3-methylsulfonylphenyl)indazole.

Molecular Properties

Compound Name6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(3-methylsulfonylphenyl)indazole
PubChem CID175789695
Molecular FormulaC20H19ClN4O2S
Molecular Weight414.92 g/mol
Exact Mass414.09
IUPAC Name6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(3-methylsulfonylphenyl)indazole
SMILESCc1ccn(C(C)c2nn(-c3cccc(S(C)(=O)=O)c3)c3cc(Cl)ccc23)n1
InChIInChI=1S/C20H19ClN4O2S/c1-13-9-10-24(22-13)14(2)20-18-8-7-15(21)11-19(18)25(23-20)16-5-4-6-17(12-16)28(3,26)27/h4-12,14H,1-3H3
InChIKeyLAMLDUJLSAETOL-UHFFFAOYSA-N
XLogP4.20
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.92
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(4-methylsulfonylphenyl)indazole
CID 175789691
[3-[3-[1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-6-chloroindazol-1-yl]phenyl]methanesulfonamide
CID 175736838
5-methyl-2-(3-methylsulfonylphenyl)pyrazol-3-amine
CID 21455575
5-chloro-1-(3-chlorophenyl)-3-propan-2-ylpyrazole-4-carbonitrile
CID 63788951
1-(3-methylsulfonylphenyl)pyrrole
CID 67689461
5-chloro-1-(3-chlorophenyl)-3,4-dimethylpyrazole
CID 66021982
5-chloro-3-(3-methylsulfonylphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 122462511
1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 177382843
2-(3-chlorophenyl)-5-methylpyrazole-3-carbonitrile
CID 71241581
azanium;bis(1-(3-chlorophenyl)-4-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]-3-methylpyrazol-5-ol);chromium
CID 137314742
5-amino-1-(3-methylsulfonylphenyl)pyrazole-3-carboxamide
CID 82589417
1-(6-chloro-1-phenylindazol-3-yl)piperazin-1-ium-1-carbonitrile
CID 54308881

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(3-methylsulfonylphenyl)indazole?
The IUPAC name of 6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(3-methylsulfonylphenyl)indazole (CID 175789695) is 6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(3-methylsulfonylphenyl)indazole.
What is the SMILES notation for 6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(3-methylsulfonylphenyl)indazole?
The canonical SMILES for 6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(3-methylsulfonylphenyl)indazole is Cc1ccn(C(C)c2nn(-c3cccc(S(C)(=O)=O)c3)c3cc(Cl)ccc23)n1.
What is the InChIKey of 6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(3-methylsulfonylphenyl)indazole?
The InChIKey is LAMLDUJLSAETOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2S/c1-13-9-10-24(22-13)14(2)20-18-8-7-15(21)11-19(18)25(23-20)16-5-4-6-17(12-16)28(3,26)27/h4-12,14H,1-3H3.
What are the key properties of 6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(3-methylsulfonylphenyl)indazole?
6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(3-methylsulfonylphenyl)indazole has a molecular weight of 414.92 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(3-methylsulfonylphenyl)indazole is sourced from PubChem (CID 175789695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).