4-chloro-5-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-(4-nitrophenyl)pyridazin-3-one

C19H19ClN6O4 — CID 133365071

IUPAC4-chloro-5-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-(4-nitrophenyl)pyridazin-3-one
SMILESCn1cc(C2(C)CN(c3cnn(-c4ccc([N+](=O)[O-])cc4)c(=O)c3Cl)CCO2)cn1
InChIInChI=1S/C19H19ClN6O4/c1-19(13-9-21-23(2)11-13)12-24(7-8-30-19)16-10-22-25(18(27)17(16)20)14-3-5-15(6-4-14)26(28)29/h3-6,9-11H,7-8,12H2,1-2H3
InChIKeyWOBTZNHVDHZHCV-UHFFFAOYSA-N
MW430.85 g/mol
LogP2.28
Rot. Bonds4

About 4-chloro-5-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-(4-nitrophenyl)pyridazin-3-one

4-chloro-5-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-(4-nitrophenyl)pyridazin-3-one (PubChem CID 133365071) has the molecular formula C19H19ClN6O4 and a molecular weight of 430.85 g/mol. Its IUPAC name is 4-chloro-5-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-(4-nitrophenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-(4-nitrophenyl)pyridazin-3-one
PubChem CID133365071
Molecular FormulaC19H19ClN6O4
Molecular Weight430.85 g/mol
Exact Mass430.12
IUPAC Name4-chloro-5-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-(4-nitrophenyl)pyridazin-3-one
SMILESCn1cc(C2(C)CN(c3cnn(-c4ccc([N+](=O)[O-])cc4)c(=O)c3Cl)CCO2)cn1
InChIInChI=1S/C19H19ClN6O4/c1-19(13-9-21-23(2)11-13)12-24(7-8-30-19)16-10-22-25(18(27)17(16)20)14-3-5-15(6-4-14)26(28)29/h3-6,9-11H,7-8,12H2,1-2H3
InChIKeyWOBTZNHVDHZHCV-UHFFFAOYSA-N
XLogP2.28
TPSA108.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.85
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

4-chloro-2-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]benzonitrile
CID 133365018
4-chloro-5-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-(4-nitrophenyl)pyridazin-3-one
CID 133283944
2-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3-nitropyridine-4-carbonitrile
CID 133365025
1-[5-chloro-1-(4-nitrophenyl)-6-oxopyridazin-4-yl]piperidine-3-carboxylic acid
CID 122051215
4-chloro-2-(4-nitrophenyl)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one
CID 133283365
4-chloro-5-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(4-nitrophenyl)pyridazin-3-one
CID 133395840
4-chloro-2-(4-nitrophenyl)-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyridazin-3-one
CID 133476465
4-(5-bromo-3-pyridinyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 133365120
4-chloro-5-[4-(2-fluoroanilino)piperidin-1-yl]-2-(4-nitrophenyl)pyridazin-3-one
CID 133330827
2-methyl-2-(1-methylpyrazol-4-yl)-4-(6-methyl-2-pyridinyl)morpholine
CID 75509895
4-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinoline-3-carbonitrile
CID 133365012
4-chloro-5-[cyclopropylmethyl(methyl)amino]-2-(4-nitrophenyl)pyridazin-3-one
CID 133283693

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-(4-nitrophenyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-(4-nitrophenyl)pyridazin-3-one (CID 133365071) is 4-chloro-5-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-(4-nitrophenyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-(4-nitrophenyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-(4-nitrophenyl)pyridazin-3-one is Cn1cc(C2(C)CN(c3cnn(-c4ccc([N+](=O)[O-])cc4)c(=O)c3Cl)CCO2)cn1.
What is the InChIKey of 4-chloro-5-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-(4-nitrophenyl)pyridazin-3-one?
The InChIKey is WOBTZNHVDHZHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O4/c1-19(13-9-21-23(2)11-13)12-24(7-8-30-19)16-10-22-25(18(27)17(16)20)14-3-5-15(6-4-14)26(28)29/h3-6,9-11H,7-8,12H2,1-2H3.
What are the key properties of 4-chloro-5-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-(4-nitrophenyl)pyridazin-3-one?
4-chloro-5-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-(4-nitrophenyl)pyridazin-3-one has a molecular weight of 430.85 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-(4-nitrophenyl)pyridazin-3-one is sourced from PubChem (CID 133365071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).