6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(4-methylsulfonylphenyl)indazole

C20H19ClN4O2S — CID 175789691

IUPAC6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(4-methylsulfonylphenyl)indazole
SMILESCc1ccn(C(C)c2nn(-c3ccc(S(C)(=O)=O)cc3)c3cc(Cl)ccc23)n1
InChIInChI=1S/C20H19ClN4O2S/c1-13-10-11-24(22-13)14(2)20-18-9-4-15(21)12-19(18)25(23-20)16-5-7-17(8-6-16)28(3,26)27/h4-12,14H,1-3H3
InChIKeySTPNRXJRQXEGMA-UHFFFAOYSA-N
MW414.92 g/mol
LogP4.20
Rot. Bonds4

About 6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(4-methylsulfonylphenyl)indazole

6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(4-methylsulfonylphenyl)indazole (PubChem CID 175789691) 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-(4-methylsulfonylphenyl)indazole.

Molecular Properties

Compound Name6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(4-methylsulfonylphenyl)indazole
PubChem CID175789691
Molecular FormulaC20H19ClN4O2S
Molecular Weight414.92 g/mol
Exact Mass414.09
IUPAC Name6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(4-methylsulfonylphenyl)indazole
SMILESCc1ccn(C(C)c2nn(-c3ccc(S(C)(=O)=O)cc3)c3cc(Cl)ccc23)n1
InChIInChI=1S/C20H19ClN4O2S/c1-13-10-11-24(22-13)14(2)20-18-9-4-15(21)12-19(18)25(23-20)16-5-7-17(8-6-16)28(3,26)27/h4-12,14H,1-3H3
InChIKeySTPNRXJRQXEGMA-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-(3-methylsulfonylphenyl)indazole
CID 175789695
3-methyl-1-(4-methylsulfonylphenyl)pyrazole
CID 90328454
6-chloro-7-fluoro-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)benzo[g]indazole
CID 21467541
[3-[3-[1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-6-chloroindazol-1-yl]phenyl]methanesulfonamide
CID 175736838
3-(difluoromethyl)-7-methylsulfinyl-1-(4-methylsulfonylphenyl)benzo[g]indazole
CID 21467490
5-(4-chlorophenyl)-3-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole
CID 54568096
5-chloro-3-(4-methylsulfonylphenyl)-1H-benzimidazole-2-thione
CID 115469865
1-[3,5-bis(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-4-yl]ethanone
CID 54443701
3,5-bis(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-4-amine
CID 54227856
5-methyl-1-(4-methylsulfonylphenyl)pyrazole
CID 174605687
1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 177382843
1-(4-chlorophenyl)-4-methyl-3-propan-2-ylpyrazole-5-carboxylic acid
CID 22831922

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(4-methylsulfonylphenyl)indazole?
The IUPAC name of 6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(4-methylsulfonylphenyl)indazole (CID 175789691) is 6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(4-methylsulfonylphenyl)indazole.
What is the SMILES notation for 6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(4-methylsulfonylphenyl)indazole?
The canonical SMILES for 6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(4-methylsulfonylphenyl)indazole is Cc1ccn(C(C)c2nn(-c3ccc(S(C)(=O)=O)cc3)c3cc(Cl)ccc23)n1.
What is the InChIKey of 6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(4-methylsulfonylphenyl)indazole?
The InChIKey is STPNRXJRQXEGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2S/c1-13-10-11-24(22-13)14(2)20-18-9-4-15(21)12-19(18)25(23-20)16-5-7-17(8-6-16)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-(4-methylsulfonylphenyl)indazole?
6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(4-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-(4-methylsulfonylphenyl)indazole is sourced from PubChem (CID 175789691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).