3-(4-fluorophenyl)-1-[(4-nitrophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C19H17FN4O2 — CID 70447745

IUPAC3-(4-fluorophenyl)-1-[(4-nitrophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESO=[N+]([O-])c1ccc(Cn2nc(-c3ccc(F)cc3)c3c2CCNC3)cc1
InChIInChI=1S/C19H17FN4O2/c20-15-5-3-14(4-6-15)19-17-11-21-10-9-18(17)23(22-19)12-13-1-7-16(8-2-13)24(25)26/h1-8,21H,9-12H2
InChIKeyHOTZEPNWHMLULE-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.29
Rot. Bonds4

About 3-(4-fluorophenyl)-1-[(4-nitrophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-(4-fluorophenyl)-1-[(4-nitrophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 70447745) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[(4-nitrophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[(4-nitrophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID70447745
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name3-(4-fluorophenyl)-1-[(4-nitrophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESO=[N+]([O-])c1ccc(Cn2nc(-c3ccc(F)cc3)c3c2CCNC3)cc1
InChIInChI=1S/C19H17FN4O2/c20-15-5-3-14(4-6-15)19-17-11-21-10-9-18(17)23(22-19)12-13-1-7-16(8-2-13)24(25)26/h1-8,21H,9-12H2
InChIKeyHOTZEPNWHMLULE-UHFFFAOYSA-N
XLogP3.29
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.29
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[(4-nitrophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-1-[(4-nitrophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 70447745) is 3-(4-fluorophenyl)-1-[(4-nitrophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[(4-nitrophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-1-[(4-nitrophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is O=[N+]([O-])c1ccc(Cn2nc(-c3ccc(F)cc3)c3c2CCNC3)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[(4-nitrophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is HOTZEPNWHMLULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-15-5-3-14(4-6-15)19-17-11-21-10-9-18(17)23(22-19)12-13-1-7-16(8-2-13)24(25)26/h1-8,21H,9-12H2.
What are the key properties of 3-(4-fluorophenyl)-1-[(4-nitrophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(4-fluorophenyl)-1-[(4-nitrophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 352.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[(4-nitrophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 70447745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).