3-(4-chlorophenyl)-2-(2-nitrophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

C17H13ClN4O2 — CID 102357687

IUPAC3-(4-chlorophenyl)-2-(2-nitrophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESO=[N+]([O-])c1ccccc1-n1nc2c(c1-c1ccc(Cl)cc1)CNC2
InChIInChI=1S/C17H13ClN4O2/c18-12-7-5-11(6-8-12)17-13-9-19-10-14(13)20-21(17)15-3-1-2-4-16(15)22(23)24/h1-8,19H,9-10H2
InChIKeyPQYZNSSREWZIAR-UHFFFAOYSA-N
MW340.77 g/mol
LogP3.70
Rot. Bonds3

About 3-(4-chlorophenyl)-2-(2-nitrophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

3-(4-chlorophenyl)-2-(2-nitrophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (PubChem CID 102357687) has the molecular formula C17H13ClN4O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(2-nitrophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(2-nitrophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
PubChem CID102357687
Molecular FormulaC17H13ClN4O2
Molecular Weight340.77 g/mol
Exact Mass340.07
IUPAC Name3-(4-chlorophenyl)-2-(2-nitrophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESO=[N+]([O-])c1ccccc1-n1nc2c(c1-c1ccc(Cl)cc1)CNC2
InChIInChI=1S/C17H13ClN4O2/c18-12-7-5-11(6-8-12)17-13-9-19-10-14(13)20-21(17)15-3-1-2-4-16(15)22(23)24/h1-8,19H,9-10H2
InChIKeyPQYZNSSREWZIAR-UHFFFAOYSA-N
XLogP3.70
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 53.70
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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Related Compounds

3-(4-chlorophenyl)-2-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 102357682
3-(4-chlorophenyl)-1-(2-nitrophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3997761
4,6-dichloro-2-(2-nitrophenyl)pyridazin-3-one
CID 101357762
2-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine
CID 83868844
2-chloro-6-[3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]quinoline;2-chloro-6-iodoquinoline;3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 161104928
5-(4-fluorophenyl)-1-(2-nitrophenyl)pyrazole
CID 141141729
(2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-(2-nitrophenyl)piperazin-1-yl]butan-1-one
CID 25382902
4-chloro-2-(2-nitrophenyl)benzotriazole
CID 174500112
3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-amine
CID 134405647
3-tert-butyl-1-(2-nitrophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4602513
3-(4-chlorophenyl)-5-(2-nitrophenyl)-1,2,4-oxadiazole
CID 3482072
[3-(4-chlorophenyl)-2-(2-ethylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]methylcarbamic acid
CID 141418043

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(2-nitrophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The IUPAC name of 3-(4-chlorophenyl)-2-(2-nitrophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (CID 102357687) is 3-(4-chlorophenyl)-2-(2-nitrophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(2-nitrophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The canonical SMILES for 3-(4-chlorophenyl)-2-(2-nitrophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is O=[N+]([O-])c1ccccc1-n1nc2c(c1-c1ccc(Cl)cc1)CNC2.
What is the InChIKey of 3-(4-chlorophenyl)-2-(2-nitrophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The InChIKey is PQYZNSSREWZIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2/c18-12-7-5-11(6-8-12)17-13-9-19-10-14(13)20-21(17)15-3-1-2-4-16(15)22(23)24/h1-8,19H,9-10H2.
What are the key properties of 3-(4-chlorophenyl)-2-(2-nitrophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
3-(4-chlorophenyl)-2-(2-nitrophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole has a molecular weight of 340.77 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(2-nitrophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 102357687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).