4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-5-yl]pyridine

C17H14N4O — CID 91051236

IUPAC4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-5-yl]pyridine
SMILESO=NC1CCc2cc(-c3cn[nH]c3-c3ccncc3)ccc21
InChIInChI=1S/C17H14N4O/c22-21-16-4-2-12-9-13(1-3-14(12)16)15-10-19-20-17(15)11-5-7-18-8-6-11/h1,3,5-10,16H,2,4H2,(H,19,20)
InChIKeyQXXGBIGYGBFXEV-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.89
Rot. Bonds3

About 4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-5-yl]pyridine

4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-5-yl]pyridine (PubChem CID 91051236) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-5-yl]pyridine
PubChem CID91051236
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-5-yl]pyridine
SMILESO=NC1CCc2cc(-c3cn[nH]c3-c3ccncc3)ccc21
InChIInChI=1S/C17H14N4O/c22-21-16-4-2-12-9-13(1-3-14(12)16)15-10-19-20-17(15)11-5-7-18-8-6-11/h1,3,5-10,16H,2,4H2,(H,19,20)
InChIKeyQXXGBIGYGBFXEV-UHFFFAOYSA-N
XLogP3.89
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-5-yl]pyridine 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 4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-5-yl]pyridine?
The IUPAC name of 4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-5-yl]pyridine (CID 91051236) is 4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-5-yl]pyridine.
What is the SMILES notation for 4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-5-yl]pyridine?
The canonical SMILES for 4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-5-yl]pyridine is O=NC1CCc2cc(-c3cn[nH]c3-c3ccncc3)ccc21.
What is the InChIKey of 4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-5-yl]pyridine?
The InChIKey is QXXGBIGYGBFXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c22-21-16-4-2-12-9-13(1-3-14(12)16)15-10-19-20-17(15)11-5-7-18-8-6-11/h1,3,5-10,16H,2,4H2,(H,19,20).
What are the key properties of 4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-5-yl]pyridine?
4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-5-yl]pyridine has a molecular weight of 290.33 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-5-yl]pyridine is sourced from PubChem (CID 91051236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).