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

C14H16N4O2 — CID 110539744

IUPAC5-ethyl-3-(3-nitrophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCN1CCc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2C1
InChIInChI=1S/C14H16N4O2/c1-2-17-7-6-13-12(9-17)14(16-15-13)10-4-3-5-11(8-10)18(19)20/h3-5,8H,2,6-7,9H2,1H3,(H,15,16)
InChIKeyXHBUQTPENIXFLX-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.36
Rot. Bonds3

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

5-ethyl-3-(3-nitrophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 110539744) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-ethyl-3-(3-nitrophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-ethyl-3-(3-nitrophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID110539744
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name5-ethyl-3-(3-nitrophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCN1CCc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2C1
InChIInChI=1S/C14H16N4O2/c1-2-17-7-6-13-12(9-17)14(16-15-13)10-4-3-5-11(8-10)18(19)20/h3-5,8H,2,6-7,9H2,1H3,(H,15,16)
InChIKeyXHBUQTPENIXFLX-UHFFFAOYSA-N
XLogP2.36
TPSA75.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

3-(4-ethoxy-3-nitrophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110537099
5-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2-methoxyphenol
CID 110539705
3-(3-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110536007
3-(3-chloro-4-phenylmethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110534516
3-(3-methoxyphenyl)-5-(3-pyrazol-1-ylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 42194500
5-benzyl-3-(3-propan-2-yloxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110536008
2-[2-ethoxy-4-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenoxy]-N,N-diethylacetamide
CID 110532395
3-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 29259331
ethyl 3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 108725868
1-[3-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]ethanone
CID 31016341
5-(6-chloro-5-nitropyrimidin-4-yl)-3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 108771592
(4-chloro-3-nitrophenyl)-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 108725810

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(3-nitrophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-ethyl-3-(3-nitrophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 110539744) is 5-ethyl-3-(3-nitrophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-ethyl-3-(3-nitrophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-ethyl-3-(3-nitrophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCN1CCc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2C1.
What is the InChIKey of 5-ethyl-3-(3-nitrophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is XHBUQTPENIXFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-2-17-7-6-13-12(9-17)14(16-15-13)10-4-3-5-11(8-10)18(19)20/h3-5,8H,2,6-7,9H2,1H3,(H,15,16).
What are the key properties of 5-ethyl-3-(3-nitrophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-ethyl-3-(3-nitrophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 272.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(3-nitrophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110539744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).