methyl 5-amino-3-methylpyrazole-1-carboxylate

C6H9N3O2 — CID 110459451

IUPACmethyl 5-amino-3-methylpyrazole-1-carboxylate
SMILESCOC(=O)n1nc(C)cc1N
InChIInChI=1S/C6H9N3O2/c1-4-3-5(7)9(8-4)6(10)11-2/h3H,7H2,1-2H3
InChIKeyZIIBQPOEHZISPB-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.39
Rot. Bonds

About methyl 5-amino-3-methylpyrazole-1-carboxylate

methyl 5-amino-3-methylpyrazole-1-carboxylate (PubChem CID 110459451) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is methyl 5-amino-3-methylpyrazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-methylpyrazole-1-carboxylate
PubChem CID110459451
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Namemethyl 5-amino-3-methylpyrazole-1-carboxylate
SMILESCOC(=O)n1nc(C)cc1N
InChIInChI=1S/C6H9N3O2/c1-4-3-5(7)9(8-4)6(10)11-2/h3H,7H2,1-2H3
InChIKeyZIIBQPOEHZISPB-UHFFFAOYSA-N
XLogP0.39
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 5-aminopyrazole-1,3-dicarboxylate
CID 163321502
3-O-ethyl 1-O-methyl 5-aminopyrazole-1,3-dicarboxylate
CID 11287330
1-(5-amino-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-one
CID 110460709
2-amino-1-(5-amino-3-methylpyrazol-1-yl)ethanone
CID 83618012
1-(5-amino-3-methylpyrazol-1-yl)-2,2,2-trifluoroethanone
CID 110461269
5-amino-N,N,3-trimethylpyrazole-1-carboxamide
CID 18339347
(5-amino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone
CID 91256750
5-amino-3-methylpyrazole-1-carbothioamide
CID 102476487
(5-amino-3-methylpyrazol-1-yl)-(4-aminophenyl)methanone
CID 110462579
methyl 5-amino-3-pyrimidin-4-ylpyrazole-1-carboxylate
CID 58531134
1-(5-amino-3-methylpyrazol-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 83618252
1-(5-amino-3-methylpyrazol-1-yl)-3-methyl-3-(methylamino)butan-1-one
CID 110838306

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-methylpyrazole-1-carboxylate?
The IUPAC name of methyl 5-amino-3-methylpyrazole-1-carboxylate (CID 110459451) is methyl 5-amino-3-methylpyrazole-1-carboxylate.
What is the SMILES notation for methyl 5-amino-3-methylpyrazole-1-carboxylate?
The canonical SMILES for methyl 5-amino-3-methylpyrazole-1-carboxylate is COC(=O)n1nc(C)cc1N.
What is the InChIKey of methyl 5-amino-3-methylpyrazole-1-carboxylate?
The InChIKey is ZIIBQPOEHZISPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-4-3-5(7)9(8-4)6(10)11-2/h3H,7H2,1-2H3.
What are the key properties of methyl 5-amino-3-methylpyrazole-1-carboxylate?
methyl 5-amino-3-methylpyrazole-1-carboxylate has a molecular weight of 155.16 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-methylpyrazole-1-carboxylate is sourced from PubChem (CID 110459451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).