methyl 3-amino-6-chloro-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylate

C10H10ClN5O2 — CID 155209346

IUPACmethyl 3-amino-6-chloro-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(-c2cnn(C)c2)nc1N
InChIInChI=1S/C10H10ClN5O2/c1-16-4-5(3-13-16)6-8(11)14-7(9(12)15-6)10(17)18-2/h3-4H,1-2H3,(H2,12,15)
InChIKeyODWWCRPUKCQMDP-UHFFFAOYSA-N
MW267.68 g/mol
LogP0.90
Rot. Bonds2

About methyl 3-amino-6-chloro-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylate

methyl 3-amino-6-chloro-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylate (PubChem CID 155209346) has the molecular formula C10H10ClN5O2 and a molecular weight of 267.68 g/mol. Its IUPAC name is methyl 3-amino-6-chloro-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-chloro-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylate
PubChem CID155209346
Molecular FormulaC10H10ClN5O2
Molecular Weight267.68 g/mol
Exact Mass267.05
IUPAC Namemethyl 3-amino-6-chloro-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(-c2cnn(C)c2)nc1N
InChIInChI=1S/C10H10ClN5O2/c1-16-4-5(3-13-16)6-8(11)14-7(9(12)15-6)10(17)18-2/h3-4H,1-2H3,(H2,12,15)
InChIKeyODWWCRPUKCQMDP-UHFFFAOYSA-N
XLogP0.90
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 6-amino-5-chloro-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxylate
CID 58291728
methyl 4-amino-3-chloro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxylate
CID 22677253
methyl 3-amino-5-(azepan-1-yl)-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxylate
CID 142340133
methyl 3-amino-6-chloro-5-phenylpyrazine-2-carboxylate
CID 58870301
3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylic acid
CID 155209250
methyl 3-amino-4,5,6-trichloropyridine-2-carboxylate
CID 86668297
3,5-diamino-N-(diaminomethylidene)-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide
CID 138810990
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 3-amino-6-chloro-5-hydrazinylpyrazine-2-carboxylate
CID 54167356
methyl 3-amino-6-chloro-5-propan-2-ylpyrazine-2-carboxylate
CID 58333443
methyl 4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 78916354
methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate
CID 118045392

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-chloro-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-chloro-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylate (CID 155209346) is methyl 3-amino-6-chloro-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-chloro-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-chloro-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylate is COC(=O)c1nc(Cl)c(-c2cnn(C)c2)nc1N.
What is the InChIKey of methyl 3-amino-6-chloro-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylate?
The InChIKey is ODWWCRPUKCQMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O2/c1-16-4-5(3-13-16)6-8(11)14-7(9(12)15-6)10(17)18-2/h3-4H,1-2H3,(H2,12,15).
What are the key properties of methyl 3-amino-6-chloro-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylate?
methyl 3-amino-6-chloro-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylate has a molecular weight of 267.68 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-chloro-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 155209346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).