methyl 3-amino-1H-pyrazole-5-carboxylate

C5H7N3O2 — CID 18445864

IUPACmethyl 3-amino-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C5H7N3O2/c1-10-5(9)3-2-4(6)8-7-3/h2H,1H3,(H3,6,7,8)
InChIKeyWUKSVVOCYHTIMV-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.22
Rot. Bonds1

About methyl 3-amino-1H-pyrazole-5-carboxylate

methyl 3-amino-1H-pyrazole-5-carboxylate (PubChem CID 18445864) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is methyl 3-amino-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-1H-pyrazole-5-carboxylate
PubChem CID18445864
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Namemethyl 3-amino-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C5H7N3O2/c1-10-5(9)3-2-4(6)8-7-3/h2H,1H3,(H3,6,7,8)
InChIKeyWUKSVVOCYHTIMV-UHFFFAOYSA-N
XLogP-0.22
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 3-amino-1H-pyrazole-5-carboxylate (CID 18445864) is methyl 3-amino-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-amino-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-amino-1H-pyrazole-5-carboxylate is COC(=O)c1cc(N)n[nH]1.
What is the InChIKey of methyl 3-amino-1H-pyrazole-5-carboxylate?
The InChIKey is WUKSVVOCYHTIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-10-5(9)3-2-4(6)8-7-3/h2H,1H3,(H3,6,7,8).
What are the key properties of methyl 3-amino-1H-pyrazole-5-carboxylate?
methyl 3-amino-1H-pyrazole-5-carboxylate has a molecular weight of 141.13 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 18445864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).