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

C20H19FN4O2 — CID 57200788

IUPAC3-(4-fluorophenyl)-5-methyl-1-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCN1CCc2c(c(-c3ccc(F)cc3)nn2Cc2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C20H19FN4O2/c1-23-11-10-19-18(13-23)20(15-4-6-16(21)7-5-15)22-24(19)12-14-2-8-17(9-3-14)25(26)27/h2-9H,10-13H2,1H3
InChIKeyXHRPFCBIMVHPER-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.63
Rot. Bonds4

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

3-(4-fluorophenyl)-5-methyl-1-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 57200788) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-1-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-1-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID57200788
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name3-(4-fluorophenyl)-5-methyl-1-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCN1CCc2c(c(-c3ccc(F)cc3)nn2Cc2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C20H19FN4O2/c1-23-11-10-19-18(13-23)20(15-4-6-16(21)7-5-15)22-24(19)12-14-2-8-17(9-3-14)25(26)27/h2-9H,10-13H2,1H3
InChIKeyXHRPFCBIMVHPER-UHFFFAOYSA-N
XLogP3.63
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.63
H-Bond Donors ≤ 50
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)-5-methyl-1-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-1-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 57200788) is 3-(4-fluorophenyl)-5-methyl-1-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-1-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-1-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CN1CCc2c(c(-c3ccc(F)cc3)nn2Cc2ccc([N+](=O)[O-])cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-1-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is XHRPFCBIMVHPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-23-11-10-19-18(13-23)20(15-4-6-16(21)7-5-15)22-24(19)12-14-2-8-17(9-3-14)25(26)27/h2-9H,10-13H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-methyl-1-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
3-(4-fluorophenyl)-5-methyl-1-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 366.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-1-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 57200788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).