1-(3-chloro-4-methylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine

C16H16ClN3 — CID 17308035

IUPAC1-(3-chloro-4-methylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine
SMILESCc1cc(C)c2c(C)nn(-c3ccc(C)c(Cl)c3)c2n1
InChIInChI=1S/C16H16ClN3/c1-9-5-6-13(8-14(9)17)20-16-15(12(4)19-20)10(2)7-11(3)18-16/h5-8H,1-4H3
InChIKeyZRJNHAHJAJMMTP-UHFFFAOYSA-N
MW285.78 g/mol
LogP4.31
Rot. Bonds1

About 1-(3-chloro-4-methylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine

1-(3-chloro-4-methylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine (PubChem CID 17308035) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine
PubChem CID17308035
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name1-(3-chloro-4-methylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine
SMILESCc1cc(C)c2c(C)nn(-c3ccc(C)c(Cl)c3)c2n1
InChIInChI=1S/C16H16ClN3/c1-9-5-6-13(8-14(9)17)20-16-15(12(4)19-20)10(2)7-11(3)18-16/h5-8H,1-4H3
InChIKeyZRJNHAHJAJMMTP-UHFFFAOYSA-N
XLogP4.31
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine
CID 17308016
5-chloro-4-(chloromethyl)-1-(3-chloro-4-methylphenyl)-3-methylpyrazole
CID 43156598
1,3,4,6-tetramethylpyrazolo[5,4-b]pyridine
CID 2264673
1-(3-chlorophenyl)-3,6-dimethyl-4-phenylpyrazolo[3,4-b]pyridine
CID 17309001
5-chloro-3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4,6-dimethylpyrazolo[3,4-b]pyridine
CID 17308097
5-amino-1-(3-chloro-4-methylphenyl)-1,2,4-triazole-3-carboxylic acid
CID 116817608
3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbonitrile
CID 45123383
1-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)-3-methyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741829
N-(3-chloro-4-methylphenyl)-4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine
CID 4860371
6-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308101
1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308207
4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-6-carbonitrile
CID 126743745

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine (CID 17308035) is 1-(3-chloro-4-methylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine is Cc1cc(C)c2c(C)nn(-c3ccc(C)c(Cl)c3)c2n1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine?
The InChIKey is ZRJNHAHJAJMMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-9-5-6-13(8-14(9)17)20-16-15(12(4)19-20)10(2)7-11(3)18-16/h5-8H,1-4H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine?
1-(3-chloro-4-methylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine has a molecular weight of 285.78 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 17308035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).