2-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1H-indole

C20H18ClN3 — CID 73351958

IUPAC2-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1H-indole
SMILESCc1ccc2[nH]c(-c3ccc(Cl)cc3)c(-n3nc(C)cc3C)c2c1
InChIInChI=1S/C20H18ClN3/c1-12-4-9-18-17(10-12)20(24-14(3)11-13(2)23-24)19(22-18)15-5-7-16(21)8-6-15/h4-11,22H,1-3H3
InChIKeyGPBFYDZOXJGTPC-UHFFFAOYSA-N
MW335.84 g/mol
LogP5.60
Rot. Bonds2

About 2-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1H-indole

2-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1H-indole (PubChem CID 73351958) has the molecular formula C20H18ClN3 and a molecular weight of 335.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1H-indole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1H-indole
PubChem CID73351958
Molecular FormulaC20H18ClN3
Molecular Weight335.84 g/mol
Exact Mass335.12
IUPAC Name2-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1H-indole
SMILESCc1ccc2[nH]c(-c3ccc(Cl)cc3)c(-n3nc(C)cc3C)c2c1
InChIInChI=1S/C20H18ClN3/c1-12-4-9-18-17(10-12)20(24-14(3)11-13(2)23-24)19(22-18)15-5-7-16(21)8-6-15/h4-11,22H,1-3H3
InChIKeyGPBFYDZOXJGTPC-UHFFFAOYSA-N
XLogP5.60
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.84
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1H-indole?
The IUPAC name of 2-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1H-indole (CID 73351958) is 2-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1H-indole.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1H-indole?
The canonical SMILES for 2-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1H-indole is Cc1ccc2[nH]c(-c3ccc(Cl)cc3)c(-n3nc(C)cc3C)c2c1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1H-indole?
The InChIKey is GPBFYDZOXJGTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3/c1-12-4-9-18-17(10-12)20(24-14(3)11-13(2)23-24)19(22-18)15-5-7-16(21)8-6-15/h4-11,22H,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1H-indole?
2-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1H-indole has a molecular weight of 335.84 g/mol, XLogP of 5.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1H-indole is sourced from PubChem (CID 73351958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).