4-(2-chlorophenyl)-5-nitro-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine

C15H15ClN4O2 — CID 90732303

IUPAC4-(2-chlorophenyl)-5-nitro-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
SMILESCCCC1=Nc2[nH]ncc2C(c2ccccc2Cl)C1[N+](=O)[O-]
InChIInChI=1S/C15H15ClN4O2/c1-2-5-12-14(20(21)22)13(9-6-3-4-7-11(9)16)10-8-17-19-15(10)18-12/h3-4,6-8,13-14H,2,5H2,1H3,(H,17,19)
InChIKeyMZKNDMPLMWMMND-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.73
Rot. Bonds4

About 4-(2-chlorophenyl)-5-nitro-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine

4-(2-chlorophenyl)-5-nitro-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine (PubChem CID 90732303) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-nitro-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-nitro-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
PubChem CID90732303
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name4-(2-chlorophenyl)-5-nitro-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
SMILESCCCC1=Nc2[nH]ncc2C(c2ccccc2Cl)C1[N+](=O)[O-]
InChIInChI=1S/C15H15ClN4O2/c1-2-5-12-14(20(21)22)13(9-6-3-4-7-11(9)16)10-8-17-19-15(10)18-12/h3-4,6-8,13-14H,2,5H2,1H3,(H,17,19)
InChIKeyMZKNDMPLMWMMND-UHFFFAOYSA-N
XLogP3.73
TPSA84.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.73
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-nitro-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine?
The IUPAC name of 4-(2-chlorophenyl)-5-nitro-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine (CID 90732303) is 4-(2-chlorophenyl)-5-nitro-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 4-(2-chlorophenyl)-5-nitro-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine?
The canonical SMILES for 4-(2-chlorophenyl)-5-nitro-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine is CCCC1=Nc2[nH]ncc2C(c2ccccc2Cl)C1[N+](=O)[O-].
What is the InChIKey of 4-(2-chlorophenyl)-5-nitro-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine?
The InChIKey is MZKNDMPLMWMMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c1-2-5-12-14(20(21)22)13(9-6-3-4-7-11(9)16)10-8-17-19-15(10)18-12/h3-4,6-8,13-14H,2,5H2,1H3,(H,17,19).
What are the key properties of 4-(2-chlorophenyl)-5-nitro-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine?
4-(2-chlorophenyl)-5-nitro-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine has a molecular weight of 318.76 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5-nitro-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 90732303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).