4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]benzoic acid

C21H15N3O3 — CID 22479735

IUPAC4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C21H15N3O3/c25-20(14-6-8-15(9-7-14)21(26)27)22-16-10-11-18-17(12-16)19(24-23-18)13-4-2-1-3-5-13/h1-12H,(H,22,25)(H,23,24)(H,26,27)
InChIKeyPYEMMVSCHWXBHA-UHFFFAOYSA-N
MW357.37 g/mol
LogP4.18
Rot. Bonds4

About 4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]benzoic acid

4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]benzoic acid (PubChem CID 22479735) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]benzoic acid
PubChem CID22479735
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC Name4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C21H15N3O3/c25-20(14-6-8-15(9-7-14)21(26)27)22-16-10-11-18-17(12-16)19(24-23-18)13-4-2-1-3-5-13/h1-12H,(H,22,25)(H,23,24)(H,26,27)
InChIKeyPYEMMVSCHWXBHA-UHFFFAOYSA-N
XLogP4.18
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]phenyl]acetic acid
CID 142112726
4-[[3-(4-methoxyphenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid
CID 22479778
N-(3-chlorophenyl)-3-phenyl-1H-indazole-5-carboxamide
CID 162666626
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]pyridine-4-carboxamide
CID 22479938
4-N-(3-pyridin-3-yl-1H-indazol-5-yl)benzene-1,4-dicarboxamide
CID 170562682
4-(1H-indazol-3-yl)-N-phenylbenzamide
CID 146637903
methyl 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoate
CID 22479901
4-N-[3-(3-nitrophenyl)-1H-indazol-5-yl]benzene-1,4-dicarboxamide
CID 170562674
3-benzamido-1H-indazole-5-carboxylic acid
CID 129093990
N-[3-[(E)-but-2-en-2-yl]-1H-indazol-5-yl]benzamide
CID 142208930
N-(9H-carbazol-3-yl)-4-phenylbenzamide
CID 43917247
2-cyano-N-(3-pyridin-4-yl-1H-indazol-5-yl)pyridine-4-carboxamide
CID 155481934

Frequently Asked Questions

What is the IUPAC name of 4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]benzoic acid?
The IUPAC name of 4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]benzoic acid (CID 22479735) is 4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]benzoic acid.
What is the SMILES notation for 4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]benzoic acid?
The canonical SMILES for 4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]benzoic acid is O=C(O)c1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]benzoic acid?
The InChIKey is PYEMMVSCHWXBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c25-20(14-6-8-15(9-7-14)21(26)27)22-16-10-11-18-17(12-16)19(24-23-18)13-4-2-1-3-5-13/h1-12H,(H,22,25)(H,23,24)(H,26,27).
What are the key properties of 4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]benzoic acid?
4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]benzoic acid has a molecular weight of 357.37 g/mol, XLogP of 4.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]benzoic acid is sourced from PubChem (CID 22479735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).