1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid

C21H16N2O2 — CID 11515406

IUPAC1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2ccc(-c3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C21H16N2O2/c24-21(25)20-18-8-4-5-9-19(18)23(22-20)14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-13H,14H2,(H,24,25)
InChIKeyNDLZXTTVQOLMMI-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.45
Rot. Bonds4

About 1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid

1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid (PubChem CID 11515406) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid
PubChem CID11515406
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2ccc(-c3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C21H16N2O2/c24-21(25)20-18-8-4-5-9-19(18)23(22-20)14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-13H,14H2,(H,24,25)
InChIKeyNDLZXTTVQOLMMI-UHFFFAOYSA-N
XLogP4.45
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-phenylphenyl)methyl]indazole-3-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

1-benzylindazole-3-carboxylate
CID 22239042
1-[(3-fluorophenyl)methyl]indazole-3-carboxylic acid
CID 63106124
1-[(1-methylpyrazol-4-yl)methyl]indazole-3-carboxylic acid
CID 55178017
1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid
CID 59341274
1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methanol
CID 145441066
1-but-3-enylindazole-3-carboxylic acid
CID 18695576
1-(2-methylprop-2-enyl)indazole-3-carboxylic acid
CID 18695551
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indazole-3-carboxylic acid
CID 63106292
1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazole-3-carboxylic acid
CID 64771668
1-(3,3,3-trifluoropropyl)indazole-3-carboxylic acid
CID 64566513
1-(5-fluoropentyl)indazole-3-carboxylic acid
CID 102334108
1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methyl 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate
CID 158510264

Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid?
The IUPAC name of 1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid (CID 11515406) is 1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid.
What is the SMILES notation for 1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid?
The canonical SMILES for 1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid is O=C(O)c1nn(Cc2ccc(-c3ccccc3)cc2)c2ccccc12.
What is the InChIKey of 1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid?
The InChIKey is NDLZXTTVQOLMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-21(25)20-18-8-4-5-9-19(18)23(22-20)14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-13H,14H2,(H,24,25).
What are the key properties of 1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid?
1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid is sourced from PubChem (CID 11515406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).