(2-chloro-4-nitrophenyl)-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone

C19H16ClN5O4 — CID 41233115

IUPAC(2-chloro-4-nitrophenyl)-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C19H16ClN5O4/c20-15-12-13(25(27)28)3-4-14(15)19(26)24-9-7-23(8-10-24)18-6-5-16(21-22-18)17-2-1-11-29-17/h1-6,11-12H,7-10H2
InChIKeyKZNYDHMDTDCYBO-UHFFFAOYSA-N
MW413.82 g/mol
LogP3.26
Rot. Bonds4

About (2-chloro-4-nitrophenyl)-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone

(2-chloro-4-nitrophenyl)-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 41233115) has the molecular formula C19H16ClN5O4 and a molecular weight of 413.82 g/mol. Its IUPAC name is (2-chloro-4-nitrophenyl)-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-nitrophenyl)-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID41233115
Molecular FormulaC19H16ClN5O4
Molecular Weight413.82 g/mol
Exact Mass413.09
IUPAC Name(2-chloro-4-nitrophenyl)-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C19H16ClN5O4/c20-15-12-13(25(27)28)3-4-14(15)19(26)24-9-7-23(8-10-24)18-6-5-16(21-22-18)17-2-1-11-29-17/h1-6,11-12H,7-10H2
InChIKeyKZNYDHMDTDCYBO-UHFFFAOYSA-N
XLogP3.26
TPSA105.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.82
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

(2-chloro-4-nitrophenyl)-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121034170
[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 41233117
(2-chloro-4-nitrophenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121065067
[4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-phenylmethanone
CID 7936754
[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 16812511
cyclopropyl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 40804993
1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 40804995
(2-chloro-4-nitrophenyl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 8779419
1,3-benzodioxol-5-yl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 18569361
2-chloro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-4-nitrobenzamide
CID 41077615
[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 121058795
6-bromo-3-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazine-1-carbonyl]chromen-2-one
CID 41233205

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-nitrophenyl)-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (2-chloro-4-nitrophenyl)-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 41233115) is (2-chloro-4-nitrophenyl)-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-nitrophenyl)-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-nitrophenyl)-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone is O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccc(-c3ccco3)nn2)CC1.
What is the InChIKey of (2-chloro-4-nitrophenyl)-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is KZNYDHMDTDCYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O4/c20-15-12-13(25(27)28)3-4-14(15)19(26)24-9-7-23(8-10-24)18-6-5-16(21-22-18)17-2-1-11-29-17/h1-6,11-12H,7-10H2.
What are the key properties of (2-chloro-4-nitrophenyl)-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
(2-chloro-4-nitrophenyl)-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 413.82 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-nitrophenyl)-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 41233115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).