6-(4-chlorophenyl)-3-methyl-1-(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine

C19H15ClN4O2 — CID 10713973

IUPAC6-(4-chlorophenyl)-3-methyl-1-(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1CCC(c1ccc(Cl)cc1)=N2
InChIInChI=1S/C19H15ClN4O2/c1-12-17-10-11-18(13-2-4-14(20)5-3-13)21-19(17)23(22-12)15-6-8-16(9-7-15)24(25)26/h2-9H,10-11H2,1H3
InChIKeyBEYQVMYCHGZORK-UHFFFAOYSA-N
MW366.81 g/mol
LogP4.81
Rot. Bonds3

About 6-(4-chlorophenyl)-3-methyl-1-(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine

6-(4-chlorophenyl)-3-methyl-1-(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine (PubChem CID 10713973) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-methyl-1-(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-methyl-1-(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine
PubChem CID10713973
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name6-(4-chlorophenyl)-3-methyl-1-(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1CCC(c1ccc(Cl)cc1)=N2
InChIInChI=1S/C19H15ClN4O2/c1-12-17-10-11-18(13-2-4-14(20)5-3-13)21-19(17)23(22-12)15-6-8-16(9-7-15)24(25)26/h2-9H,10-11H2,1H3
InChIKeyBEYQVMYCHGZORK-UHFFFAOYSA-N
XLogP4.81
TPSA73.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 54.81
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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Related Compounds

3-methyl-1,6-bis(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine
CID 10762124
4-(3,4-dichlorophenyl)-3,5-dimethyl-1-(4-nitrophenyl)pyrazole
CID 50884208
1-(4-chlorophenyl)-3-methyl-4-(4-nitrophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135406421
4-chloro-3-methyl-1-(4-nitrophenyl)-6,7-dihydroindazole-5-carbaldehyde
CID 155979843
5-(4-chlorophenyl)-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole
CID 10451628
1-chloro-4-nitrobenzene;ethane
CID 90737802
3-(4-chlorophenyl)-5-(4-ethylphenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazole
CID 3562515
[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]-phenylmethanone
CID 10734536
CID 70381437
CID 70381437
[(5R)-3-(4-chlorophenyl)-5-hydroxy-5-methyl-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone
CID 1095421
6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine
CID 174298070
6-(4-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-4,5-dihydro-3H-pyridazine
CID 21479616

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-methyl-1-(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine?
The IUPAC name of 6-(4-chlorophenyl)-3-methyl-1-(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine (CID 10713973) is 6-(4-chlorophenyl)-3-methyl-1-(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(4-chlorophenyl)-3-methyl-1-(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-(4-chlorophenyl)-3-methyl-1-(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine is Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1CCC(c1ccc(Cl)cc1)=N2.
What is the InChIKey of 6-(4-chlorophenyl)-3-methyl-1-(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine?
The InChIKey is BEYQVMYCHGZORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-12-17-10-11-18(13-2-4-14(20)5-3-13)21-19(17)23(22-12)15-6-8-16(9-7-15)24(25)26/h2-9H,10-11H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-3-methyl-1-(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine?
6-(4-chlorophenyl)-3-methyl-1-(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine has a molecular weight of 366.81 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-methyl-1-(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine is sourced from PubChem (CID 10713973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).