1-[(2,4-dichlorophenyl)methyl]-3-ethylindazole-6-carboxylic acid

C17H14Cl2N2O2 — CID 22387827

IUPAC1-[(2,4-dichlorophenyl)methyl]-3-ethylindazole-6-carboxylic acid
SMILESCCc1nn(Cc2ccc(Cl)cc2Cl)c2cc(C(=O)O)ccc12
InChIInChI=1S/C17H14Cl2N2O2/c1-2-15-13-6-4-10(17(22)23)7-16(13)21(20-15)9-11-3-5-12(18)8-14(11)19/h3-8H,2,9H2,1H3,(H,22,23)
InChIKeyHRMLIIRMESDZSP-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.65
Rot. Bonds4

About 1-[(2,4-dichlorophenyl)methyl]-3-ethylindazole-6-carboxylic acid

1-[(2,4-dichlorophenyl)methyl]-3-ethylindazole-6-carboxylic acid (PubChem CID 22387827) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-3-ethylindazole-6-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-3-ethylindazole-6-carboxylic acid
PubChem CID22387827
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-3-ethylindazole-6-carboxylic acid
SMILESCCc1nn(Cc2ccc(Cl)cc2Cl)c2cc(C(=O)O)ccc12
InChIInChI=1S/C17H14Cl2N2O2/c1-2-15-13-6-4-10(17(22)23)7-16(13)21(20-15)9-11-3-5-12(18)8-14(11)19/h3-8H,2,9H2,1H3,(H,22,23)
InChIKeyHRMLIIRMESDZSP-UHFFFAOYSA-N
XLogP4.65
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2,4-dichlorophenyl)methyl]-3-ethylindazole-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]acetic acid
CID 11711124
1-[(2,4-dichlorophenyl)methyl]-2-methyl-4-oxoquinazoline-7-carboxylic acid
CID 22387822
1-[(2,4-dichlorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylic acid
CID 11696000
3-[1-[(2,4-dichlorophenyl)methyl]-6-(difluoromethyl)indazol-3-yl]propanoic acid
CID 11704004
1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycarbonylindazole-6-carboxylic acid
CID 66888999
methyl 6-chloro-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate
CID 66887924
[1-[(2,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82697288
3-[(2,4-dichlorophenyl)methyl]-1-methyl-2-oxobenzimidazole-5-carboxylic acid
CID 22387851
3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]propanehydrazide
CID 162374177
1-[(2,4-dichlorophenyl)methyl]-3,6-dimethylindazole
CID 143192052
1-[(2-chloro-4-fluorophenyl)methyl]-3-[(E)-3-methoxy-3-oxoprop-1-enyl]indazole-6-carboxylic acid
CID 68912253
1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-methoxy-3-oxoprop-1-enyl)indazole-6-carboxylic acid
CID 68912255

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3-ethylindazole-6-carboxylic acid?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3-ethylindazole-6-carboxylic acid (CID 22387827) is 1-[(2,4-dichlorophenyl)methyl]-3-ethylindazole-6-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-3-ethylindazole-6-carboxylic acid?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-3-ethylindazole-6-carboxylic acid is CCc1nn(Cc2ccc(Cl)cc2Cl)c2cc(C(=O)O)ccc12.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-3-ethylindazole-6-carboxylic acid?
The InChIKey is HRMLIIRMESDZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-2-15-13-6-4-10(17(22)23)7-16(13)21(20-15)9-11-3-5-12(18)8-14(11)19/h3-8H,2,9H2,1H3,(H,22,23).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-3-ethylindazole-6-carboxylic acid?
1-[(2,4-dichlorophenyl)methyl]-3-ethylindazole-6-carboxylic acid has a molecular weight of 349.22 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-3-ethylindazole-6-carboxylic acid is sourced from PubChem (CID 22387827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).