1-(2,3-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid

C14H12Cl2N2O2 — CID 16778003

IUPAC1-(2,3-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2cccc(Cl)c2Cl)c2c1CCCC2
InChIInChI=1S/C14H12Cl2N2O2/c15-9-5-3-7-11(12(9)16)18-10-6-2-1-4-8(10)13(17-18)14(19)20/h3,5,7H,1-2,4,6H2,(H,19,20)
InChIKeyFOPILAQTHMXQEY-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.76
Rot. Bonds2

About 1-(2,3-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid

1-(2,3-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (PubChem CID 16778003) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
PubChem CID16778003
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name1-(2,3-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2cccc(Cl)c2Cl)c2c1CCCC2
InChIInChI=1S/C14H12Cl2N2O2/c15-9-5-3-7-11(12(9)16)18-10-6-2-1-4-8(10)13(17-18)14(19)20/h3,5,7H,1-2,4,6H2,(H,19,20)
InChIKeyFOPILAQTHMXQEY-UHFFFAOYSA-N
XLogP3.76
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2,3-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 107791434
1-(2-chloro-4-iodophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 107607130
1-(4-chloro-2-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxylic acid
CID 61288079
1-(4-chloro-2-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxylic acid
CID 61287059
1-(4-bromo-2,6-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 28993505
1-(3-chloro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 16771372
1-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxylic acid
CID 61287468
1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 16776357
1-benzyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 59836272
1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 16773246
1-(3-chloro-2-fluorophenyl)-N-methylsulfonyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 167951021
1-(4-fluoro-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 16771404

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The IUPAC name of 1-(2,3-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (CID 16778003) is 1-(2,3-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The canonical SMILES for 1-(2,3-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid is O=C(O)c1nn(-c2cccc(Cl)c2Cl)c2c1CCCC2.
What is the InChIKey of 1-(2,3-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The InChIKey is FOPILAQTHMXQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c15-9-5-3-7-11(12(9)16)18-10-6-2-1-4-8(10)13(17-18)14(19)20/h3,5,7H,1-2,4,6H2,(H,19,20).
What are the key properties of 1-(2,3-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
1-(2,3-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid has a molecular weight of 311.17 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid is sourced from PubChem (CID 16778003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).