methyl 4-amino-1-(2-carbamoylphenyl)pyrazole-3-carboxylate

C12H12N4O3 — CID 107346310

IUPACmethyl 4-amino-1-(2-carbamoylphenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccccc2C(N)=O)cc1N
InChIInChI=1S/C12H12N4O3/c1-19-12(18)10-8(13)6-16(15-10)9-5-3-2-4-7(9)11(14)17/h2-6H,13H2,1H3,(H2,14,17)
InChIKeyJZNJFNPUXWSZAS-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.34
Rot. Bonds3

About methyl 4-amino-1-(2-carbamoylphenyl)pyrazole-3-carboxylate

methyl 4-amino-1-(2-carbamoylphenyl)pyrazole-3-carboxylate (PubChem CID 107346310) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is methyl 4-amino-1-(2-carbamoylphenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-(2-carbamoylphenyl)pyrazole-3-carboxylate
PubChem CID107346310
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Namemethyl 4-amino-1-(2-carbamoylphenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccccc2C(N)=O)cc1N
InChIInChI=1S/C12H12N4O3/c1-19-12(18)10-8(13)6-16(15-10)9-5-3-2-4-7(9)11(14)17/h2-6H,13H2,1H3,(H2,14,17)
InChIKeyJZNJFNPUXWSZAS-UHFFFAOYSA-N
XLogP0.34
TPSA113.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-amino-1-cinnolin-4-ylpyrazole-3-carboxylate
CID 107346195
methyl 4-amino-1-(2-carbamoyl-4-pyridinyl)pyrazole-3-carboxylate
CID 107346365
methyl 4-amino-1-(4-methyl-3-pyridinyl)pyrazole-3-carboxylate
CID 107346201
methyl 4-amino-1-(4-methylphthalazin-1-yl)pyrazole-3-carboxylate
CID 107346184
1-(2-methoxycarbonylphenyl)pyrazole-3,4-dicarboxylic acid
CID 84818283
methyl 4-amino-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 107346221
methyl 4-(4-amino-3-carbamoylpyrazol-1-yl)pyridine-2-carboxylate
CID 107346534
methyl 2-(4-aminopyrazol-1-yl)benzoate
CID 131512401
ethyl 4-amino-1-(3-bromo-2-carbamoylphenyl)pyrazole-3-carboxylate
CID 107346848
methyl 4-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 107346344
methyl 4-amino-1-[4-(methylsulfamoyl)phenyl]pyrazole-3-carboxylate
CID 107346272
methyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate
CID 107346290

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-(2-carbamoylphenyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 4-amino-1-(2-carbamoylphenyl)pyrazole-3-carboxylate (CID 107346310) is methyl 4-amino-1-(2-carbamoylphenyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-amino-1-(2-carbamoylphenyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 4-amino-1-(2-carbamoylphenyl)pyrazole-3-carboxylate is COC(=O)c1nn(-c2ccccc2C(N)=O)cc1N.
What is the InChIKey of methyl 4-amino-1-(2-carbamoylphenyl)pyrazole-3-carboxylate?
The InChIKey is JZNJFNPUXWSZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-19-12(18)10-8(13)6-16(15-10)9-5-3-2-4-7(9)11(14)17/h2-6H,13H2,1H3,(H2,14,17).
What are the key properties of methyl 4-amino-1-(2-carbamoylphenyl)pyrazole-3-carboxylate?
methyl 4-amino-1-(2-carbamoylphenyl)pyrazole-3-carboxylate has a molecular weight of 260.25 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-(2-carbamoylphenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 107346310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).