dimethyl 5-aminopyrazole-1,3-dicarboxylate

C7H9N3O4 — CID 163321502

IUPACdimethyl 5-aminopyrazole-1,3-dicarboxylate
SMILESCOC(=O)c1cc(N)n(C(=O)OC)n1
InChIInChI=1S/C7H9N3O4/c1-13-6(11)4-3-5(8)10(9-4)7(12)14-2/h3H,8H2,1-2H3
InChIKeyBLADCLSOTRSKDZ-UHFFFAOYSA-N
MW199.17 g/mol
LogP-0.13
Rot. Bonds1

About dimethyl 5-aminopyrazole-1,3-dicarboxylate

dimethyl 5-aminopyrazole-1,3-dicarboxylate (PubChem CID 163321502) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is dimethyl 5-aminopyrazole-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-aminopyrazole-1,3-dicarboxylate
PubChem CID163321502
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Namedimethyl 5-aminopyrazole-1,3-dicarboxylate
SMILESCOC(=O)c1cc(N)n(C(=O)OC)n1
InChIInChI=1S/C7H9N3O4/c1-13-6(11)4-3-5(8)10(9-4)7(12)14-2/h3H,8H2,1-2H3
InChIKeyBLADCLSOTRSKDZ-UHFFFAOYSA-N
XLogP-0.13
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-O-ethyl 1-O-methyl 5-aminopyrazole-1,3-dicarboxylate
CID 11287330
methyl 5-amino-3-methylpyrazole-1-carboxylate
CID 110459451
methyl 5-amino-3-pyrimidin-4-ylpyrazole-1-carboxylate
CID 58531134
methyl 5-amino-1-pyridin-2-ylpyrazole-3-carboxylate
CID 86250027
dimethyl 1-(2-aminobenzoyl)pyrazole-3,5-dicarboxylate
CID 13290788
methyl 5-amino-1-(3-chloro-4-fluorophenyl)pyrazole-3-carboxylate
CID 82305712
methyl 5-amino-1,2,4-triazole-1-carboxylate
CID 23262594
3-O-ethyl 1-O-methyl 5-(cyclohexanecarbonylamino)pyrazole-1,3-dicarboxylate
CID 25057248
methyl 3-amino-5-phenylpyrazole-1-carboxylate
CID 110868199
methyl 5-isocyano-1-methylpyrazole-3-carboxylate
CID 58448432
methyl 2-amino-6-methylpyrimidine-4-carboxylate
CID 818455
methyl 4-aminopyridine-2-carboxylate
CID 3759117

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-aminopyrazole-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-aminopyrazole-1,3-dicarboxylate (CID 163321502) is dimethyl 5-aminopyrazole-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-aminopyrazole-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-aminopyrazole-1,3-dicarboxylate is COC(=O)c1cc(N)n(C(=O)OC)n1.
What is the InChIKey of dimethyl 5-aminopyrazole-1,3-dicarboxylate?
The InChIKey is BLADCLSOTRSKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c1-13-6(11)4-3-5(8)10(9-4)7(12)14-2/h3H,8H2,1-2H3.
What are the key properties of dimethyl 5-aminopyrazole-1,3-dicarboxylate?
dimethyl 5-aminopyrazole-1,3-dicarboxylate has a molecular weight of 199.17 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-aminopyrazole-1,3-dicarboxylate is sourced from PubChem (CID 163321502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).