methyl 4-amino-1-(4-methyl-3-pyridinyl)pyrazole-3-carboxylate

C11H12N4O2 — CID 107346201

IUPACmethyl 4-amino-1-(4-methyl-3-pyridinyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2cnccc2C)cc1N
InChIInChI=1S/C11H12N4O2/c1-7-3-4-13-5-9(7)15-6-8(12)10(14-15)11(16)17-2/h3-6H,12H2,1-2H3
InChIKeyAVBQENHEOSXLMA-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.94
Rot. Bonds2

About methyl 4-amino-1-(4-methyl-3-pyridinyl)pyrazole-3-carboxylate

methyl 4-amino-1-(4-methyl-3-pyridinyl)pyrazole-3-carboxylate (PubChem CID 107346201) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is methyl 4-amino-1-(4-methyl-3-pyridinyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-(4-methyl-3-pyridinyl)pyrazole-3-carboxylate
PubChem CID107346201
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Namemethyl 4-amino-1-(4-methyl-3-pyridinyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2cnccc2C)cc1N
InChIInChI=1S/C11H12N4O2/c1-7-3-4-13-5-9(7)15-6-8(12)10(14-15)11(16)17-2/h3-6H,12H2,1-2H3
InChIKeyAVBQENHEOSXLMA-UHFFFAOYSA-N
XLogP0.94
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-amino-1-(2-carbamoylphenyl)pyrazole-3-carboxylate
CID 107346310
4-amino-1-(3-methyl-4-pyridinyl)pyrazole-3-carboxamide
CID 107346449
methyl 4-amino-1-(2-carbamoyl-4-pyridinyl)pyrazole-3-carboxylate
CID 107346365
methyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate
CID 107346290
methyl 4-amino-1-cinnolin-4-ylpyrazole-3-carboxylate
CID 107346195
methyl 4-amino-1-(5-sulfamoyl-2-pyridinyl)pyrazole-3-carboxylate
CID 107346339
methyl 4-amino-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 107346221
ethyl 4-amino-1-isoquinolin-4-ylpyrazole-3-carboxylate
CID 107346797
methyl 4-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 107346344
methyl 4-(4-amino-3-methoxycarbonylpyrazol-1-yl)-6-methylpyrimidine-2-carboxylate
CID 107346354
methyl 4-amino-1-(6-methylpyrimidin-4-yl)pyrazole-3-carboxylate
CID 107346189
methyl 4-amino-1-(4-methylphthalazin-1-yl)pyrazole-3-carboxylate
CID 107346184

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-(4-methyl-3-pyridinyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 4-amino-1-(4-methyl-3-pyridinyl)pyrazole-3-carboxylate (CID 107346201) is methyl 4-amino-1-(4-methyl-3-pyridinyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-amino-1-(4-methyl-3-pyridinyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 4-amino-1-(4-methyl-3-pyridinyl)pyrazole-3-carboxylate is COC(=O)c1nn(-c2cnccc2C)cc1N.
What is the InChIKey of methyl 4-amino-1-(4-methyl-3-pyridinyl)pyrazole-3-carboxylate?
The InChIKey is AVBQENHEOSXLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7-3-4-13-5-9(7)15-6-8(12)10(14-15)11(16)17-2/h3-6H,12H2,1-2H3.
What are the key properties of methyl 4-amino-1-(4-methyl-3-pyridinyl)pyrazole-3-carboxylate?
methyl 4-amino-1-(4-methyl-3-pyridinyl)pyrazole-3-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-(4-methyl-3-pyridinyl)pyrazole-3-carboxylate is sourced from PubChem (CID 107346201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).