2-[5-methyl-1-(2-nitrophenyl)pyrazol-3-yl]naphthalen-1-ol

C20H15N3O3 — CID 135465498

IUPAC2-[5-methyl-1-(2-nitrophenyl)pyrazol-3-yl]naphthalen-1-ol
SMILESCc1cc(-c2ccc3ccccc3c2O)nn1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H15N3O3/c1-13-12-17(16-11-10-14-6-2-3-7-15(14)20(16)24)21-22(13)18-8-4-5-9-19(18)23(25)26/h2-12,24H,1H3
InChIKeyDQQSIFDBOAHGJL-UHFFFAOYSA-N
MW345.36 g/mol
LogP4.61
Rot. Bonds3

About 2-[5-methyl-1-(2-nitrophenyl)pyrazol-3-yl]naphthalen-1-ol

2-[5-methyl-1-(2-nitrophenyl)pyrazol-3-yl]naphthalen-1-ol (PubChem CID 135465498) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-[5-methyl-1-(2-nitrophenyl)pyrazol-3-yl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[5-methyl-1-(2-nitrophenyl)pyrazol-3-yl]naphthalen-1-ol
PubChem CID135465498
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name2-[5-methyl-1-(2-nitrophenyl)pyrazol-3-yl]naphthalen-1-ol
SMILESCc1cc(-c2ccc3ccccc3c2O)nn1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H15N3O3/c1-13-12-17(16-11-10-14-6-2-3-7-15(14)20(16)24)21-22(13)18-8-4-5-9-19(18)23(25)26/h2-12,24H,1H3
InChIKeyDQQSIFDBOAHGJL-UHFFFAOYSA-N
XLogP4.61
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[5-methyl-1-(2-nitrophenyl)pyrazol-3-yl]naphthalen-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-1-(2-nitrophenyl)pyrazol-3-yl]naphthalen-1-ol?
The IUPAC name of 2-[5-methyl-1-(2-nitrophenyl)pyrazol-3-yl]naphthalen-1-ol (CID 135465498) is 2-[5-methyl-1-(2-nitrophenyl)pyrazol-3-yl]naphthalen-1-ol.
What is the SMILES notation for 2-[5-methyl-1-(2-nitrophenyl)pyrazol-3-yl]naphthalen-1-ol?
The canonical SMILES for 2-[5-methyl-1-(2-nitrophenyl)pyrazol-3-yl]naphthalen-1-ol is Cc1cc(-c2ccc3ccccc3c2O)nn1-c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[5-methyl-1-(2-nitrophenyl)pyrazol-3-yl]naphthalen-1-ol?
The InChIKey is DQQSIFDBOAHGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-13-12-17(16-11-10-14-6-2-3-7-15(14)20(16)24)21-22(13)18-8-4-5-9-19(18)23(25)26/h2-12,24H,1H3.
What are the key properties of 2-[5-methyl-1-(2-nitrophenyl)pyrazol-3-yl]naphthalen-1-ol?
2-[5-methyl-1-(2-nitrophenyl)pyrazol-3-yl]naphthalen-1-ol has a molecular weight of 345.36 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-1-(2-nitrophenyl)pyrazol-3-yl]naphthalen-1-ol is sourced from PubChem (CID 135465498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).