ethyl 4-(4-chlorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate

C19H16ClN3O2 — CID 157037273

IUPACethyl 4-(4-chlorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)c1cn(C)nc1n2-c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O2/c1-3-25-19(24)12-4-9-17-15(10-12)16-11-22(2)21-18(16)23(17)14-7-5-13(20)6-8-14/h4-11H,3H2,1-2H3
InChIKeyAAICCTPMJSFWIV-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.35
Rot. Bonds3

About ethyl 4-(4-chlorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate

ethyl 4-(4-chlorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate (PubChem CID 157037273) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is ethyl 4-(4-chlorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-chlorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate
PubChem CID157037273
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Nameethyl 4-(4-chlorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)c1cn(C)nc1n2-c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O2/c1-3-25-19(24)12-4-9-17-15(10-12)16-11-22(2)21-18(16)23(17)14-7-5-13(20)6-8-14/h4-11H,3H2,1-2H3
InChIKeyAAICCTPMJSFWIV-UHFFFAOYSA-N
XLogP4.35
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate
CID 157037645
ethyl 4-(4-cyclopentylphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate
CID 157037620
3-(methylsulfonimidoyl)propyl 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylate
CID 157037088
sodium 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylate
CID 157037365
2-methyl-4-[4-(3,3,3-trifluoro-1-hydroxypropyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid
CID 157037380
4-(3-methoxyphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid
CID 157037563
2-methyl-4-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid
CID 157037917
ethyl 5-[4-(trifluoromethyl)phenyl]pyrido[4,3-b]indole-8-carboxylate
CID 162680864
N-[(3-ethyl-5-methyltriazol-4-yl)methyl]-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 166838263
N-(1-hydroxypropan-2-yl)-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 157037940
ethyl 3-(4-chlorophenyl)-2,5-dimethylimidazole-4-carboxylate
CID 164852991
ethyl 4-[(4-chlorophenyl)methyl]benzoate
CID 11414671

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-chlorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate?
The IUPAC name of ethyl 4-(4-chlorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate (CID 157037273) is ethyl 4-(4-chlorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate.
What is the SMILES notation for ethyl 4-(4-chlorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate?
The canonical SMILES for ethyl 4-(4-chlorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate is CCOC(=O)c1ccc2c(c1)c1cn(C)nc1n2-c1ccc(Cl)cc1.
What is the InChIKey of ethyl 4-(4-chlorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate?
The InChIKey is AAICCTPMJSFWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-3-25-19(24)12-4-9-17-15(10-12)16-11-22(2)21-18(16)23(17)14-7-5-13(20)6-8-14/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 4-(4-chlorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate?
ethyl 4-(4-chlorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate has a molecular weight of 353.81 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-chlorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate is sourced from PubChem (CID 157037273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).