methyl 5-amino-1-(6-chloroquinoxalin-2-yl)pyrazole-4-carboxylate

C13H10ClN5O2 — CID 102023309

IUPACmethyl 5-amino-1-(6-chloroquinoxalin-2-yl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2cnc3cc(Cl)ccc3n2)c1N
InChIInChI=1S/C13H10ClN5O2/c1-21-13(20)8-5-17-19(12(8)15)11-6-16-10-4-7(14)2-3-9(10)18-11/h2-6H,15H2,1H3
InChIKeyNGJNXKXFBXXFJE-UHFFFAOYSA-N
MW303.71 g/mol
LogP1.84
Rot. Bonds2

About methyl 5-amino-1-(6-chloroquinoxalin-2-yl)pyrazole-4-carboxylate

methyl 5-amino-1-(6-chloroquinoxalin-2-yl)pyrazole-4-carboxylate (PubChem CID 102023309) has the molecular formula C13H10ClN5O2 and a molecular weight of 303.71 g/mol. Its IUPAC name is methyl 5-amino-1-(6-chloroquinoxalin-2-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(6-chloroquinoxalin-2-yl)pyrazole-4-carboxylate
PubChem CID102023309
Molecular FormulaC13H10ClN5O2
Molecular Weight303.71 g/mol
Exact Mass303.05
IUPAC Namemethyl 5-amino-1-(6-chloroquinoxalin-2-yl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2cnc3cc(Cl)ccc3n2)c1N
InChIInChI=1S/C13H10ClN5O2/c1-21-13(20)8-5-17-19(12(8)15)11-6-16-10-4-7(14)2-3-9(10)18-11/h2-6H,15H2,1H3
InChIKeyNGJNXKXFBXXFJE-UHFFFAOYSA-N
XLogP1.84
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-amino-1-(5-chloro-2-hydroxyphenyl)pyrazole-4-carboxylate
CID 82365471
methyl 5-amino-1-(2,4-difluorophenyl)pyrazole-4-carboxylate
CID 75357925
tributyl 4-(5-amino-4-methoxycarbonylpyrazol-1-yl)-8-chloropyrrolo[1,2-a]quinoxaline-1,2,3-tricarboxylate
CID 102023325
ethyl 5-amino-1-(5,6-dimethylpyrazin-2-yl)pyrazole-4-carboxylate
CID 82192656
methyl 5-amino-3-chloroquinoline-6-carboxylate
CID 135277922
ethyl 5-amino-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 732237
methyl 7-chlorophenazine-2-carboxylate
CID 154715967
methyl 5-amino-1-(2-ethylphenyl)pyrazole-4-carboxylate
CID 82365421
methyl 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 1481755
methyl 2-chloroquinoxaline-6-carboxylate
CID 131395472
6-chloro-N-propan-2-ylquinoxaline-2-carboxamide
CID 171573867
methyl 5-carbamoyl-1-(3,5-dichlorophenyl)pyrazole-4-carboxylate
CID 14421313

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(6-chloroquinoxalin-2-yl)pyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(6-chloroquinoxalin-2-yl)pyrazole-4-carboxylate (CID 102023309) is methyl 5-amino-1-(6-chloroquinoxalin-2-yl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(6-chloroquinoxalin-2-yl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(6-chloroquinoxalin-2-yl)pyrazole-4-carboxylate is COC(=O)c1cnn(-c2cnc3cc(Cl)ccc3n2)c1N.
What is the InChIKey of methyl 5-amino-1-(6-chloroquinoxalin-2-yl)pyrazole-4-carboxylate?
The InChIKey is NGJNXKXFBXXFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O2/c1-21-13(20)8-5-17-19(12(8)15)11-6-16-10-4-7(14)2-3-9(10)18-11/h2-6H,15H2,1H3.
What are the key properties of methyl 5-amino-1-(6-chloroquinoxalin-2-yl)pyrazole-4-carboxylate?
methyl 5-amino-1-(6-chloroquinoxalin-2-yl)pyrazole-4-carboxylate has a molecular weight of 303.71 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(6-chloroquinoxalin-2-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 102023309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).