ethyl 5-(dimethylaminomethylideneamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate

C19H21N5O2 — CID 3791390

IUPACethyl 5-(dimethylaminomethylideneamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(C)c3ccccc3n2)c1N=CN(C)C
InChIInChI=1S/C19H21N5O2/c1-5-26-19(25)15-11-21-24(18(15)20-12-23(3)4)17-10-13(2)14-8-6-7-9-16(14)22-17/h6-12H,5H2,1-4H3
InChIKeyFXZOUAVYHKINGZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.13
Rot. Bonds5

About ethyl 5-(dimethylaminomethylideneamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate

ethyl 5-(dimethylaminomethylideneamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate (PubChem CID 3791390) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is ethyl 5-(dimethylaminomethylideneamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(dimethylaminomethylideneamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
PubChem CID3791390
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Nameethyl 5-(dimethylaminomethylideneamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(C)c3ccccc3n2)c1N=CN(C)C
InChIInChI=1S/C19H21N5O2/c1-5-26-19(25)15-11-21-24(18(15)20-12-23(3)4)17-10-13(2)14-8-6-7-9-16(14)22-17/h6-12H,5H2,1-4H3
InChIKeyFXZOUAVYHKINGZ-UHFFFAOYSA-N
XLogP3.13
TPSA72.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-amino-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 732237
ethyl 5-(methoxycarbonylamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108747535
ethyl 5-(2-bromobutanoylamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108747531
ethyl 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108779349
ethyl 5-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108779341
ethyl 1-(4-methylquinolin-2-yl)-5-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]pyrazole-4-carboxylate
CID 108769638
ethyl 5-[[4-(4-fluoroanilino)-4-oxobutanoyl]amino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108769619
ethyl 5-[[2-(2,4-dimethylphenoxy)acetyl]amino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108769614
ethyl 5-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108747543
ethyl 5-[[4-(2-methoxyphenyl)-4-oxobutanoyl]amino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108747561
ethyl 5-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108769602
ethyl 5-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108801722

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(dimethylaminomethylideneamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(dimethylaminomethylideneamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate (CID 3791390) is ethyl 5-(dimethylaminomethylideneamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(dimethylaminomethylideneamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(dimethylaminomethylideneamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cc(C)c3ccccc3n2)c1N=CN(C)C.
What is the InChIKey of ethyl 5-(dimethylaminomethylideneamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate?
The InChIKey is FXZOUAVYHKINGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-5-26-19(25)15-11-21-24(18(15)20-12-23(3)4)17-10-13(2)14-8-6-7-9-16(14)22-17/h6-12H,5H2,1-4H3.
What are the key properties of ethyl 5-(dimethylaminomethylideneamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate?
ethyl 5-(dimethylaminomethylideneamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate has a molecular weight of 351.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(dimethylaminomethylideneamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 3791390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).