6-chloro-3-[1-[(4-chlorophenyl)methyl]-4-phenylpyrazol-5-yl]-2-methyl-1H-indole

C25H19Cl2N3 — CID 137151084

IUPAC6-chloro-3-[1-[(4-chlorophenyl)methyl]-4-phenylpyrazol-5-yl]-2-methyl-1H-indole
SMILESCc1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)cnn1Cc1ccc(Cl)cc1
InChIInChI=1S/C25H19Cl2N3/c1-16-24(21-12-11-20(27)13-23(21)29-16)25-22(18-5-3-2-4-6-18)14-28-30(25)15-17-7-9-19(26)10-8-17/h2-14,29H,15H2,1H3
InChIKeyDCHVFPCYTNEKAO-UHFFFAOYSA-N
MW432.35 g/mol
LogP7.36
Rot. Bonds4

About 6-chloro-3-[1-[(4-chlorophenyl)methyl]-4-phenylpyrazol-5-yl]-2-methyl-1H-indole

6-chloro-3-[1-[(4-chlorophenyl)methyl]-4-phenylpyrazol-5-yl]-2-methyl-1H-indole (PubChem CID 137151084) has the molecular formula C25H19Cl2N3 and a molecular weight of 432.35 g/mol. Its IUPAC name is 6-chloro-3-[1-[(4-chlorophenyl)methyl]-4-phenylpyrazol-5-yl]-2-methyl-1H-indole.

Molecular Properties

Compound Name6-chloro-3-[1-[(4-chlorophenyl)methyl]-4-phenylpyrazol-5-yl]-2-methyl-1H-indole
PubChem CID137151084
Molecular FormulaC25H19Cl2N3
Molecular Weight432.35 g/mol
Exact Mass431.10
IUPAC Name6-chloro-3-[1-[(4-chlorophenyl)methyl]-4-phenylpyrazol-5-yl]-2-methyl-1H-indole
SMILESCc1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)cnn1Cc1ccc(Cl)cc1
InChIInChI=1S/C25H19Cl2N3/c1-16-24(21-12-11-20(27)13-23(21)29-16)25-22(18-5-3-2-4-6-18)14-28-30(25)15-17-7-9-19(26)10-8-17/h2-14,29H,15H2,1H3
InChIKeyDCHVFPCYTNEKAO-UHFFFAOYSA-N
XLogP7.36
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.35
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-3-[1-[(4-chlorophenyl)methyl]-4-phenylpyrazol-5-yl]-N-(trifluoromethylsulfinyl)-1H-indole-2-carboxamide
CID 137090818
6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-2-carbonitrile
CID 66987515
6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole
CID 25105771
7,8-bis(4-chlorophenyl)-2-[(4-phenylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 11990330
2-(5-chloro-2-methyl-1H-indol-3-yl)-4-phenyl-1,3-thiazole
CID 102490378
3-(4-chlorophenyl)-2-methyl-6-(trifluoromethyl)-1H-indole
CID 141083856
N-(2-benzylpyrazol-3-yl)-6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide
CID 71155707
7-chloro-1,3-diphenyl-9H-carbazole
CID 121437435
5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylpyrazole
CID 66015304
1-[(4-methylphenyl)methyl]-5-phenylpyrazole-4-carbaldehyde
CID 61368147
6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide
CID 25097197
5-chloro-1-[(4-chlorophenyl)methyl]indazole
CID 59148107

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-[(4-chlorophenyl)methyl]-4-phenylpyrazol-5-yl]-2-methyl-1H-indole?
The IUPAC name of 6-chloro-3-[1-[(4-chlorophenyl)methyl]-4-phenylpyrazol-5-yl]-2-methyl-1H-indole (CID 137151084) is 6-chloro-3-[1-[(4-chlorophenyl)methyl]-4-phenylpyrazol-5-yl]-2-methyl-1H-indole.
What is the SMILES notation for 6-chloro-3-[1-[(4-chlorophenyl)methyl]-4-phenylpyrazol-5-yl]-2-methyl-1H-indole?
The canonical SMILES for 6-chloro-3-[1-[(4-chlorophenyl)methyl]-4-phenylpyrazol-5-yl]-2-methyl-1H-indole is Cc1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)cnn1Cc1ccc(Cl)cc1.
What is the InChIKey of 6-chloro-3-[1-[(4-chlorophenyl)methyl]-4-phenylpyrazol-5-yl]-2-methyl-1H-indole?
The InChIKey is DCHVFPCYTNEKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2N3/c1-16-24(21-12-11-20(27)13-23(21)29-16)25-22(18-5-3-2-4-6-18)14-28-30(25)15-17-7-9-19(26)10-8-17/h2-14,29H,15H2,1H3.
What are the key properties of 6-chloro-3-[1-[(4-chlorophenyl)methyl]-4-phenylpyrazol-5-yl]-2-methyl-1H-indole?
6-chloro-3-[1-[(4-chlorophenyl)methyl]-4-phenylpyrazol-5-yl]-2-methyl-1H-indole has a molecular weight of 432.35 g/mol, XLogP of 7.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-[(4-chlorophenyl)methyl]-4-phenylpyrazol-5-yl]-2-methyl-1H-indole is sourced from PubChem (CID 137151084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).