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

C16H16N4O2 — CID 732237

IUPACethyl 5-amino-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(C)c3ccccc3n2)c1N
InChIInChI=1S/C16H16N4O2/c1-3-22-16(21)12-9-18-20(15(12)17)14-8-10(2)11-6-4-5-7-13(11)19-14/h4-9H,3,17H2,1-2H3
InChIKeyYOLADONJJNKOAX-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.49
Rot. Bonds3

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

ethyl 5-amino-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate (PubChem CID 732237) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is ethyl 5-amino-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
PubChem CID732237
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Nameethyl 5-amino-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(C)c3ccccc3n2)c1N
InChIInChI=1S/C16H16N4O2/c1-3-22-16(21)12-9-18-20(15(12)17)14-8-10(2)11-6-4-5-7-13(11)19-14/h4-9H,3,17H2,1-2H3
InChIKeyYOLADONJJNKOAX-UHFFFAOYSA-N
XLogP2.49
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(methoxycarbonylamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108747535
ethyl 5-(dimethylaminomethylideneamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 3791390
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-[[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-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108779341
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 1-(4-methylquinolin-2-yl)-5-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]pyrazole-4-carboxylate
CID 108769638
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-amino-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate (CID 732237) is ethyl 5-amino-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cc(C)c3ccccc3n2)c1N.
What is the InChIKey of ethyl 5-amino-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate?
The InChIKey is YOLADONJJNKOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-3-22-16(21)12-9-18-20(15(12)17)14-8-10(2)11-6-4-5-7-13(11)19-14/h4-9H,3,17H2,1-2H3.
What are the key properties of ethyl 5-amino-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate?
ethyl 5-amino-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate has a molecular weight of 296.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 732237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).