3-(1-benzylindol-3-yl)-1H-pyrazole-5-carboxylic acid

C19H15N3O2 — CID 70695124

IUPAC3-(1-benzylindol-3-yl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cn(Cc3ccccc3)c3ccccc23)n[nH]1
InChIInChI=1S/C19H15N3O2/c23-19(24)17-10-16(20-21-17)15-12-22(11-13-6-2-1-3-7-13)18-9-5-4-8-14(15)18/h1-10,12H,11H2,(H,20,21)(H,23,24)
InChIKeyUMBNLHISMDBAOL-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.78
Rot. Bonds4

About 3-(1-benzylindol-3-yl)-1H-pyrazole-5-carboxylic acid

3-(1-benzylindol-3-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 70695124) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-(1-benzylindol-3-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-benzylindol-3-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID70695124
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name3-(1-benzylindol-3-yl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cn(Cc3ccccc3)c3ccccc23)n[nH]1
InChIInChI=1S/C19H15N3O2/c23-19(24)17-10-16(20-21-17)15-12-22(11-13-6-2-1-3-7-13)18-9-5-4-8-14(15)18/h1-10,12H,11H2,(H,20,21)(H,23,24)
InChIKeyUMBNLHISMDBAOL-UHFFFAOYSA-N
XLogP3.78
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylindol-3-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(1-benzylindol-3-yl)-1H-pyrazole-5-carboxylic acid (CID 70695124) is 3-(1-benzylindol-3-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(1-benzylindol-3-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(1-benzylindol-3-yl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2cn(Cc3ccccc3)c3ccccc23)n[nH]1.
What is the InChIKey of 3-(1-benzylindol-3-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is UMBNLHISMDBAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c23-19(24)17-10-16(20-21-17)15-12-22(11-13-6-2-1-3-7-13)18-9-5-4-8-14(15)18/h1-10,12H,11H2,(H,20,21)(H,23,24).
What are the key properties of 3-(1-benzylindol-3-yl)-1H-pyrazole-5-carboxylic acid?
3-(1-benzylindol-3-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 317.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylindol-3-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 70695124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).