methyl 6-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]amino]pyridazine-3-carboxylate

C19H21N5O2 — CID 166382688

IUPACmethyl 6-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(Nc2cnn(-c3ccc(C)cc3)c2C(C)C)nn1
InChIInChI=1S/C19H21N5O2/c1-12(2)18-16(11-20-24(18)14-7-5-13(3)6-8-14)21-17-10-9-15(22-23-17)19(25)26-4/h5-12H,1-4H3,(H,21,23)
InChIKeyCSLUYHGRURKBFF-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.62
Rot. Bonds5

About methyl 6-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]amino]pyridazine-3-carboxylate

methyl 6-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]amino]pyridazine-3-carboxylate (PubChem CID 166382688) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is methyl 6-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]amino]pyridazine-3-carboxylate
PubChem CID166382688
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Namemethyl 6-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(Nc2cnn(-c3ccc(C)cc3)c2C(C)C)nn1
InChIInChI=1S/C19H21N5O2/c1-12(2)18-16(11-20-24(18)14-7-5-13(3)6-8-14)21-17-10-9-15(22-23-17)19(25)26-4/h5-12H,1-4H3,(H,21,23)
InChIKeyCSLUYHGRURKBFF-UHFFFAOYSA-N
XLogP3.62
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-3-[methyl-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]amino]propanoic acid
CID 122091322
methyl 2-methoxy-5-[[[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]methyl]benzoate
CID 55605737
N-(2-methoxy-5-nitrophenyl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 47026238
1-(4-methoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 42818387
N-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55638310
methyl 5-methyl-1-(4-prop-1-en-2-ylphenyl)pyrazole-4-carboxylate
CID 86692434
2-(3-acetamidophenyl)-N-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]acetamide
CID 167878489
1-(4-methylphenyl)-5-propan-2-yl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55797748
N-(2-amino-2-ethylbutyl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119639876
methyl 6-[(1-ethoxy-1-oxopropan-2-yl)amino]pyridazine-3-carboxylate
CID 54960640
1-(4-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 43057524
4-[[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229971

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]amino]pyridazine-3-carboxylate (CID 166382688) is methyl 6-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]amino]pyridazine-3-carboxylate is COC(=O)c1ccc(Nc2cnn(-c3ccc(C)cc3)c2C(C)C)nn1.
What is the InChIKey of methyl 6-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]amino]pyridazine-3-carboxylate?
The InChIKey is CSLUYHGRURKBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12(2)18-16(11-20-24(18)14-7-5-13(3)6-8-14)21-17-10-9-15(22-23-17)19(25)26-4/h5-12H,1-4H3,(H,21,23).
What are the key properties of methyl 6-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]amino]pyridazine-3-carboxylate?
methyl 6-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]amino]pyridazine-3-carboxylate has a molecular weight of 351.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]amino]pyridazine-3-carboxylate is sourced from PubChem (CID 166382688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).