2-[[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]carbamoyl]benzoic acid

C23H19N3O3 — CID 71500569

IUPAC2-[[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1ccc(C2=NNC(c3ccccc3)C2)cc1
InChIInChI=1S/C23H19N3O3/c27-22(18-8-4-5-9-19(18)23(28)29)24-17-12-10-16(11-13-17)21-14-20(25-26-21)15-6-2-1-3-7-15/h1-13,20,25H,14H2,(H,24,27)(H,28,29)
InChIKeyAODRULUYNKMRES-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.08
Rot. Bonds5

About 2-[[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]carbamoyl]benzoic acid

2-[[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]carbamoyl]benzoic acid (PubChem CID 71500569) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]carbamoyl]benzoic acid
PubChem CID71500569
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name2-[[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1ccc(C2=NNC(c3ccccc3)C2)cc1
InChIInChI=1S/C23H19N3O3/c27-22(18-8-4-5-9-19(18)23(28)29)24-17-12-10-16(11-13-17)21-14-20(25-26-21)15-6-2-1-3-7-15/h1-13,20,25H,14H2,(H,24,27)(H,28,29)
InChIKeyAODRULUYNKMRES-UHFFFAOYSA-N
XLogP4.08
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]carbamoyl]benzoic acid (CID 71500569) is 2-[[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]carbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)Nc1ccc(C2=NNC(c3ccccc3)C2)cc1.
What is the InChIKey of 2-[[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]carbamoyl]benzoic acid?
The InChIKey is AODRULUYNKMRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-22(18-8-4-5-9-19(18)23(28)29)24-17-12-10-16(11-13-17)21-14-20(25-26-21)15-6-2-1-3-7-15/h1-13,20,25H,14H2,(H,24,27)(H,28,29).
What are the key properties of 2-[[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]carbamoyl]benzoic acid?
2-[[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]carbamoyl]benzoic acid has a molecular weight of 385.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 71500569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).