methyl 4-amino-1-cinnolin-4-ylpyrazole-3-carboxylate

C13H11N5O2 — CID 107346195

IUPACmethyl 4-amino-1-cinnolin-4-ylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2cnnc3ccccc23)cc1N
InChIInChI=1S/C13H11N5O2/c1-20-13(19)12-9(14)7-18(17-12)11-6-15-16-10-5-3-2-4-8(10)11/h2-7H,14H2,1H3
InChIKeyPDSJPJUSEGSDCC-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.18
Rot. Bonds2

About methyl 4-amino-1-cinnolin-4-ylpyrazole-3-carboxylate

methyl 4-amino-1-cinnolin-4-ylpyrazole-3-carboxylate (PubChem CID 107346195) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl 4-amino-1-cinnolin-4-ylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-cinnolin-4-ylpyrazole-3-carboxylate
PubChem CID107346195
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Namemethyl 4-amino-1-cinnolin-4-ylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2cnnc3ccccc23)cc1N
InChIInChI=1S/C13H11N5O2/c1-20-13(19)12-9(14)7-18(17-12)11-6-15-16-10-5-3-2-4-8(10)11/h2-7H,14H2,1H3
InChIKeyPDSJPJUSEGSDCC-UHFFFAOYSA-N
XLogP1.18
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-amino-1-(2-carbamoylphenyl)pyrazole-3-carboxylate
CID 107346310
methyl 4-amino-1-(4-methylphthalazin-1-yl)pyrazole-3-carboxylate
CID 107346184
methyl 4-amino-1-(4-methyl-3-pyridinyl)pyrazole-3-carboxylate
CID 107346201
ethyl 4-amino-1-isoquinolin-4-ylpyrazole-3-carboxylate
CID 107346797
methyl 4-amino-1-(2-carbamoyl-4-pyridinyl)pyrazole-3-carboxylate
CID 107346365
1-cinnolin-4-ylpyrazol-4-amine
CID 63587333
methyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate
CID 107346290
methyl 4-amino-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 107346221
methyl 4-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 107346344
methyl 4-amino-1-(5-sulfamoyl-2-pyridinyl)pyrazole-3-carboxylate
CID 107346339
cinnolin-4-amine;methanesulfonic acid
CID 174552830
methyl 4-amino-1-(7-hydroxyisoquinolin-1-yl)pyrazole-3-carboxylate
CID 107346260

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-cinnolin-4-ylpyrazole-3-carboxylate?
The IUPAC name of methyl 4-amino-1-cinnolin-4-ylpyrazole-3-carboxylate (CID 107346195) is methyl 4-amino-1-cinnolin-4-ylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-amino-1-cinnolin-4-ylpyrazole-3-carboxylate?
The canonical SMILES for methyl 4-amino-1-cinnolin-4-ylpyrazole-3-carboxylate is COC(=O)c1nn(-c2cnnc3ccccc23)cc1N.
What is the InChIKey of methyl 4-amino-1-cinnolin-4-ylpyrazole-3-carboxylate?
The InChIKey is PDSJPJUSEGSDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-20-13(19)12-9(14)7-18(17-12)11-6-15-16-10-5-3-2-4-8(10)11/h2-7H,14H2,1H3.
What are the key properties of methyl 4-amino-1-cinnolin-4-ylpyrazole-3-carboxylate?
methyl 4-amino-1-cinnolin-4-ylpyrazole-3-carboxylate has a molecular weight of 269.26 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-cinnolin-4-ylpyrazole-3-carboxylate is sourced from PubChem (CID 107346195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).