methyl 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridazine-3-carboxylate

C14H19N5O3 — CID 133445681

IUPACmethyl 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridazine-3-carboxylate
SMILESCCc1nn(C)c(OC)c1CNc1ccc(C(=O)OC)nn1
InChIInChI=1S/C14H19N5O3/c1-5-10-9(13(21-3)19(2)18-10)8-15-12-7-6-11(16-17-12)14(20)22-4/h6-7H,5,8H2,1-4H3,(H,15,17)
InChIKeyGECHOZHCTDJPTB-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.18
Rot. Bonds6

About methyl 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridazine-3-carboxylate

methyl 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridazine-3-carboxylate (PubChem CID 133445681) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is methyl 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridazine-3-carboxylate
PubChem CID133445681
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Namemethyl 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridazine-3-carboxylate
SMILESCCc1nn(C)c(OC)c1CNc1ccc(C(=O)OC)nn1
InChIInChI=1S/C14H19N5O3/c1-5-10-9(13(21-3)19(2)18-10)8-15-12-7-6-11(16-17-12)14(20)22-4/h6-7H,5,8H2,1-4H3,(H,15,17)
InChIKeyGECHOZHCTDJPTB-UHFFFAOYSA-N
XLogP1.18
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]-N-methylpyridazine-3-carboxamide
CID 133445721
5-bromo-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 133445612
3-cyclopropyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133445550
6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile
CID 133445330
1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-3-(6-methyl-2-pyridinyl)urea
CID 75507990
methyl 6-[3-(diethylamino)propylamino]pyridazine-3-carboxylate
CID 60792604
methyl 6-(butylamino)pyridazine-3-carboxylate
CID 24820196
methyl 6-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]pyridazine-3-carboxylate
CID 104925835
[3-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]-4-nitrophenyl]methanol
CID 133438795
3-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylsulfamoyl]benzoic acid
CID 136549096
1-[3-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylphenyl]ethanone
CID 133463115
methyl 6-(hexylamino)pyridazine-3-carboxylate
CID 60980718

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridazine-3-carboxylate (CID 133445681) is methyl 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridazine-3-carboxylate is CCc1nn(C)c(OC)c1CNc1ccc(C(=O)OC)nn1.
What is the InChIKey of methyl 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridazine-3-carboxylate?
The InChIKey is GECHOZHCTDJPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-5-10-9(13(21-3)19(2)18-10)8-15-12-7-6-11(16-17-12)14(20)22-4/h6-7H,5,8H2,1-4H3,(H,15,17).
What are the key properties of methyl 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridazine-3-carboxylate?
methyl 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridazine-3-carboxylate has a molecular weight of 305.34 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridazine-3-carboxylate is sourced from PubChem (CID 133445681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).