methyl 4-amino-1-(2-carbamoyl-4-pyridinyl)pyrazole-3-carboxylate

C11H11N5O3 — CID 107346365

IUPACmethyl 4-amino-1-(2-carbamoyl-4-pyridinyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccnc(C(N)=O)c2)cc1N
InChIInChI=1S/C11H11N5O3/c1-19-11(18)9-7(12)5-16(15-9)6-2-3-14-8(4-6)10(13)17/h2-5H,12H2,1H3,(H2,13,17)
InChIKeyQOCMTIZWDUNMPK-UHFFFAOYSA-N
MW261.24 g/mol
LogP-0.26
Rot. Bonds3

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

methyl 4-amino-1-(2-carbamoyl-4-pyridinyl)pyrazole-3-carboxylate (PubChem CID 107346365) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is methyl 4-amino-1-(2-carbamoyl-4-pyridinyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-(2-carbamoyl-4-pyridinyl)pyrazole-3-carboxylate
PubChem CID107346365
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Namemethyl 4-amino-1-(2-carbamoyl-4-pyridinyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccnc(C(N)=O)c2)cc1N
InChIInChI=1S/C11H11N5O3/c1-19-11(18)9-7(12)5-16(15-9)6-2-3-14-8(4-6)10(13)17/h2-5H,12H2,1H3,(H2,13,17)
InChIKeyQOCMTIZWDUNMPK-UHFFFAOYSA-N
XLogP-0.26
TPSA126.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-(4-amino-3-carbamoylpyrazol-1-yl)pyridine-2-carboxylate
CID 107346534
methyl 4-amino-1-(2-carbamoylphenyl)pyrazole-3-carboxylate
CID 107346310
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-(3-chloro-4-cyanophenyl)pyrazole-3-carboxylate
CID 107346194
methyl 4-amino-1-(4-methyl-3-pyridinyl)pyrazole-3-carboxylate
CID 107346201
methyl 4-amino-1-[4-(methylsulfamoyl)phenyl]pyrazole-3-carboxylate
CID 107346272
methyl 4-amino-1-(7-hydroxyisoquinolin-1-yl)pyrazole-3-carboxylate
CID 107346260
methyl 4-amino-1-(6-methylpyrimidin-4-yl)pyrazole-3-carboxylate
CID 107346189
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-(3-cyanopyrazin-2-yl)pyrazole-3-carboxylate
CID 107346238

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-(2-carbamoyl-4-pyridinyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 4-amino-1-(2-carbamoyl-4-pyridinyl)pyrazole-3-carboxylate (CID 107346365) is methyl 4-amino-1-(2-carbamoyl-4-pyridinyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-amino-1-(2-carbamoyl-4-pyridinyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 4-amino-1-(2-carbamoyl-4-pyridinyl)pyrazole-3-carboxylate is COC(=O)c1nn(-c2ccnc(C(N)=O)c2)cc1N.
What is the InChIKey of methyl 4-amino-1-(2-carbamoyl-4-pyridinyl)pyrazole-3-carboxylate?
The InChIKey is QOCMTIZWDUNMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-19-11(18)9-7(12)5-16(15-9)6-2-3-14-8(4-6)10(13)17/h2-5H,12H2,1H3,(H2,13,17).
What are the key properties of methyl 4-amino-1-(2-carbamoyl-4-pyridinyl)pyrazole-3-carboxylate?
methyl 4-amino-1-(2-carbamoyl-4-pyridinyl)pyrazole-3-carboxylate has a molecular weight of 261.24 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-(2-carbamoyl-4-pyridinyl)pyrazole-3-carboxylate is sourced from PubChem (CID 107346365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).