methyl 2-aminopyrazole-3-carboxylate

C5H7N3O2 — CID 15152492

IUPACmethyl 2-aminopyrazole-3-carboxylate
SMILESCOC(=O)c1ccnn1N
InChIInChI=1S/C5H7N3O2/c1-10-5(9)4-2-3-7-8(4)6/h2-3H,6H2,1H3
InChIKeyHKQBTJJNDYVNMD-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.62
Rot. Bonds1

About methyl 2-aminopyrazole-3-carboxylate

methyl 2-aminopyrazole-3-carboxylate (PubChem CID 15152492) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is methyl 2-aminopyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-aminopyrazole-3-carboxylate
PubChem CID15152492
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Namemethyl 2-aminopyrazole-3-carboxylate
SMILESCOC(=O)c1ccnn1N
InChIInChI=1S/C5H7N3O2/c1-10-5(9)4-2-3-7-8(4)6/h2-3H,6H2,1H3
InChIKeyHKQBTJJNDYVNMD-UHFFFAOYSA-N
XLogP-0.62
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-aminopyrazole-3-carboxylate?
The IUPAC name of methyl 2-aminopyrazole-3-carboxylate (CID 15152492) is methyl 2-aminopyrazole-3-carboxylate.
What is the SMILES notation for methyl 2-aminopyrazole-3-carboxylate?
The canonical SMILES for methyl 2-aminopyrazole-3-carboxylate is COC(=O)c1ccnn1N.
What is the InChIKey of methyl 2-aminopyrazole-3-carboxylate?
The InChIKey is HKQBTJJNDYVNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-10-5(9)4-2-3-7-8(4)6/h2-3H,6H2,1H3.
What are the key properties of methyl 2-aminopyrazole-3-carboxylate?
methyl 2-aminopyrazole-3-carboxylate has a molecular weight of 141.13 g/mol, XLogP of -0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-aminopyrazole-3-carboxylate is sourced from PubChem (CID 15152492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).