1-[(2,4-dichlorophenyl)methyl]-3,6-dimethylindazole

C16H14Cl2N2 — CID 143192052

IUPAC1-[(2,4-dichlorophenyl)methyl]-3,6-dimethylindazole
SMILESCc1ccc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2c1
InChIInChI=1S/C16H14Cl2N2/c1-10-3-6-14-11(2)19-20(16(14)7-10)9-12-4-5-13(17)8-15(12)18/h3-8H,9H2,1-2H3
InChIKeyQNQVMESWDMQMTI-UHFFFAOYSA-N
MW305.21 g/mol
LogP5.01
Rot. Bonds2

About 1-[(2,4-dichlorophenyl)methyl]-3,6-dimethylindazole

1-[(2,4-dichlorophenyl)methyl]-3,6-dimethylindazole (PubChem CID 143192052) has the molecular formula C16H14Cl2N2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-3,6-dimethylindazole.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-3,6-dimethylindazole
PubChem CID143192052
Molecular FormulaC16H14Cl2N2
Molecular Weight305.21 g/mol
Exact Mass304.05
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-3,6-dimethylindazole
SMILESCc1ccc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2c1
InChIInChI=1S/C16H14Cl2N2/c1-10-3-6-14-11(2)19-20(16(14)7-10)9-12-4-5-13(17)8-15(12)18/h3-8H,9H2,1-2H3
InChIKeyQNQVMESWDMQMTI-UHFFFAOYSA-N
XLogP5.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.21
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (Z)-3-[1-[(2,4-dichlorophenyl)methyl]-6-methylindazol-3-yl]prop-2-enoate
CID 58182915
methyl 6-chloro-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate
CID 66887924
1-[(2,4-dichlorophenyl)methyl]-6-methylindazole-3-carboxylic acid;ethyl (E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-methylindazol-3-yl]prop-2-enoate
CID 161435268
1-[(2,4-dichlorophenyl)methyl]-3-ethylindazole-6-carboxylic acid
CID 22387827
1-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(2,5-dimethylphenyl)thiourea
CID 19677805
2-(3,6-dimethylindazol-1-yl)acetaldehyde
CID 83829090
1-(cyclopropylmethyl)-3,6-dimethylindazole
CID 129023140
1-[(2,4-dichlorophenyl)methyl]-6-(difluoromethyl)-3-[(E)-prop-1-enyl]indazole
CID 143191943
1-[(2,4-dichlorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylic acid
CID 11696000
1-(3-chlorophenyl)-6-[(2,4-dichlorophenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846366
1-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)pyrazole-5-carboxylic acid
CID 91871325
1-[(2,4-dichlorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride
CID 160768666

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3,6-dimethylindazole?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3,6-dimethylindazole (CID 143192052) is 1-[(2,4-dichlorophenyl)methyl]-3,6-dimethylindazole.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-3,6-dimethylindazole?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-3,6-dimethylindazole is Cc1ccc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2c1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-3,6-dimethylindazole?
The InChIKey is QNQVMESWDMQMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2/c1-10-3-6-14-11(2)19-20(16(14)7-10)9-12-4-5-13(17)8-15(12)18/h3-8H,9H2,1-2H3.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-3,6-dimethylindazole?
1-[(2,4-dichlorophenyl)methyl]-3,6-dimethylindazole has a molecular weight of 305.21 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-3,6-dimethylindazole is sourced from PubChem (CID 143192052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).