ethyl 3-[(4-cyano-1-methylpyrazol-5-yl)amino]-5,6-diphenylpyridazine-4-carboxylate

C24H20N6O2 — CID 108775301

IUPACethyl 3-[(4-cyano-1-methylpyrazol-5-yl)amino]-5,6-diphenylpyridazine-4-carboxylate
SMILESCCOC(=O)c1c(Nc2c(C#N)cnn2C)nnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H20N6O2/c1-3-32-24(31)20-19(16-10-6-4-7-11-16)21(17-12-8-5-9-13-17)28-29-22(20)27-23-18(14-25)15-26-30(23)2/h4-13,15H,3H2,1-2H3,(H,27,29)
InChIKeyBCJVZKHIJUXXKH-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.34
Rot. Bonds6

About ethyl 3-[(4-cyano-1-methylpyrazol-5-yl)amino]-5,6-diphenylpyridazine-4-carboxylate

ethyl 3-[(4-cyano-1-methylpyrazol-5-yl)amino]-5,6-diphenylpyridazine-4-carboxylate (PubChem CID 108775301) has the molecular formula C24H20N6O2 and a molecular weight of 424.46 g/mol. Its IUPAC name is ethyl 3-[(4-cyano-1-methylpyrazol-5-yl)amino]-5,6-diphenylpyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(4-cyano-1-methylpyrazol-5-yl)amino]-5,6-diphenylpyridazine-4-carboxylate
PubChem CID108775301
Molecular FormulaC24H20N6O2
Molecular Weight424.46 g/mol
Exact Mass424.16
IUPAC Nameethyl 3-[(4-cyano-1-methylpyrazol-5-yl)amino]-5,6-diphenylpyridazine-4-carboxylate
SMILESCCOC(=O)c1c(Nc2c(C#N)cnn2C)nnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H20N6O2/c1-3-32-24(31)20-19(16-10-6-4-7-11-16)21(17-12-8-5-9-13-17)28-29-22(20)27-23-18(14-25)15-26-30(23)2/h4-13,15H,3H2,1-2H3,(H,27,29)
InChIKeyBCJVZKHIJUXXKH-UHFFFAOYSA-N
XLogP4.34
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 3-(4-ethoxycarbonylanilino)-5,6-diphenylpyridazine-4-carboxylate
CID 23767913
ethyl 4-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)pyrimidine-5-carboxylate
CID 108775340
2-[(4-ethoxycarbonyl-5,6-diphenylpyridazin-3-yl)amino]-4-ethylsulfanylbutanoic acid
CID 108777947
ethyl 3-(4-ethylpiperazin-1-yl)-5,6-diphenylpyridazine-4-carboxylate
CID 23907149
ethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-5,6-diphenylpyridazine-4-carboxylate
CID 23994393
phenyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate
CID 79503955
ethyl 4-phenylphthalazine-1-carboxylate
CID 102221733
ethyl 5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxylate
CID 1241263
diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate
CID 66570713
diethyl 4-amino-3,5-dicyano-6-phenylbenzene-1,2-dicarboxylate
CID 102230049
ethyl 3-amino-2,4-dicyano-5,6-diphenylbenzoate
CID 139180404
ethyl 3,5-dicyano-2-hydroxy-4,6-diphenylbenzoate
CID 100964726

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-cyano-1-methylpyrazol-5-yl)amino]-5,6-diphenylpyridazine-4-carboxylate?
The IUPAC name of ethyl 3-[(4-cyano-1-methylpyrazol-5-yl)amino]-5,6-diphenylpyridazine-4-carboxylate (CID 108775301) is ethyl 3-[(4-cyano-1-methylpyrazol-5-yl)amino]-5,6-diphenylpyridazine-4-carboxylate.
What is the SMILES notation for ethyl 3-[(4-cyano-1-methylpyrazol-5-yl)amino]-5,6-diphenylpyridazine-4-carboxylate?
The canonical SMILES for ethyl 3-[(4-cyano-1-methylpyrazol-5-yl)amino]-5,6-diphenylpyridazine-4-carboxylate is CCOC(=O)c1c(Nc2c(C#N)cnn2C)nnc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of ethyl 3-[(4-cyano-1-methylpyrazol-5-yl)amino]-5,6-diphenylpyridazine-4-carboxylate?
The InChIKey is BCJVZKHIJUXXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2/c1-3-32-24(31)20-19(16-10-6-4-7-11-16)21(17-12-8-5-9-13-17)28-29-22(20)27-23-18(14-25)15-26-30(23)2/h4-13,15H,3H2,1-2H3,(H,27,29).
What are the key properties of ethyl 3-[(4-cyano-1-methylpyrazol-5-yl)amino]-5,6-diphenylpyridazine-4-carboxylate?
ethyl 3-[(4-cyano-1-methylpyrazol-5-yl)amino]-5,6-diphenylpyridazine-4-carboxylate has a molecular weight of 424.46 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-cyano-1-methylpyrazol-5-yl)amino]-5,6-diphenylpyridazine-4-carboxylate is sourced from PubChem (CID 108775301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).