ethyl 1-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-5-methylpyrazole-4-carboxylate

C19H21N5O3 — CID 141302909

IUPACethyl 1-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-5-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(NCc3ccc(OC)cc3)nn2)c1C
InChIInChI=1S/C19H21N5O3/c1-4-27-19(25)16-12-21-24(13(16)2)18-10-9-17(22-23-18)20-11-14-5-7-15(26-3)8-6-14/h5-10,12H,4,11H2,1-3H3,(H,20,22)
InChIKeyKMWGOFLIHVYUNX-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.77
Rot. Bonds7

About ethyl 1-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-5-methylpyrazole-4-carboxylate

ethyl 1-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-5-methylpyrazole-4-carboxylate (PubChem CID 141302909) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is ethyl 1-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-5-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-5-methylpyrazole-4-carboxylate
PubChem CID141302909
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Nameethyl 1-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-5-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(NCc3ccc(OC)cc3)nn2)c1C
InChIInChI=1S/C19H21N5O3/c1-4-27-19(25)16-12-21-24(13(16)2)18-10-9-17(22-23-18)20-11-14-5-7-15(26-3)8-6-14/h5-10,12H,4,11H2,1-3H3,(H,20,22)
InChIKeyKMWGOFLIHVYUNX-UHFFFAOYSA-N
XLogP2.77
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 1-[4-[[[2-(4-methoxyanilino)acetyl]amino]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 55652008
ethyl 1-[6-[(3-methoxyphenyl)methylsulfanyl]pyridazin-3-yl]-5-methylpyrazole-4-carboxylate
CID 50844729
ethyl 1-[5-(hydroxymethyl)-2-pyridinyl]-5-methylpyrazole-4-carboxylate
CID 86692597
4-methoxy-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041761
4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041085
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041752
6-[(4-methoxyphenyl)methylamino]-N-propan-2-ylpyridazine-3-carboxamide
CID 109109629
ethane;ethyl 5-fluoro-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
CID 143010924
ethyl 2-[(4-fluorophenyl)methylamino]-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylate
CID 178100051
ethyl 2-[(4-methoxyphenyl)methylamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 3919771
ethyl 2-[(4-methoxyphenyl)methylamino]cyclohexene-1-carboxylate
CID 71499745
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113041743

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-5-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-5-methylpyrazole-4-carboxylate (CID 141302909) is ethyl 1-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-5-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-5-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-5-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(NCc3ccc(OC)cc3)nn2)c1C.
What is the InChIKey of ethyl 1-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-5-methylpyrazole-4-carboxylate?
The InChIKey is KMWGOFLIHVYUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-4-27-19(25)16-12-21-24(13(16)2)18-10-9-17(22-23-18)20-11-14-5-7-15(26-3)8-6-14/h5-10,12H,4,11H2,1-3H3,(H,20,22).
What are the key properties of ethyl 1-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-5-methylpyrazole-4-carboxylate?
ethyl 1-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-5-methylpyrazole-4-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-5-methylpyrazole-4-carboxylate is sourced from PubChem (CID 141302909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).