methyl 2-(1H-pyrazol-4-yl)acetate

C6H8N2O2 — CID 58189211

IUPACmethyl 2-(1H-pyrazol-4-yl)acetate
SMILESCOC(=O)Cc1cn[nH]c1
InChIInChI=1S/C6H8N2O2/c1-10-6(9)2-5-3-7-8-4-5/h3-4H,2H2,1H3,(H,7,8)
InChIKeyZAVWZNDAHVBOBF-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.13
Rot. Bonds2

About methyl 2-(1H-pyrazol-4-yl)acetate

methyl 2-(1H-pyrazol-4-yl)acetate (PubChem CID 58189211) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is methyl 2-(1H-pyrazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1H-pyrazol-4-yl)acetate
PubChem CID58189211
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Namemethyl 2-(1H-pyrazol-4-yl)acetate
SMILESCOC(=O)Cc1cn[nH]c1
InChIInChI=1S/C6H8N2O2/c1-10-6(9)2-5-3-7-8-4-5/h3-4H,2H2,1H3,(H,7,8)
InChIKeyZAVWZNDAHVBOBF-UHFFFAOYSA-N
XLogP0.13
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-pyrazol-4-yl)acetate?
The IUPAC name of methyl 2-(1H-pyrazol-4-yl)acetate (CID 58189211) is methyl 2-(1H-pyrazol-4-yl)acetate.
What is the SMILES notation for methyl 2-(1H-pyrazol-4-yl)acetate?
The canonical SMILES for methyl 2-(1H-pyrazol-4-yl)acetate is COC(=O)Cc1cn[nH]c1.
What is the InChIKey of methyl 2-(1H-pyrazol-4-yl)acetate?
The InChIKey is ZAVWZNDAHVBOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-10-6(9)2-5-3-7-8-4-5/h3-4H,2H2,1H3,(H,7,8).
What are the key properties of methyl 2-(1H-pyrazol-4-yl)acetate?
methyl 2-(1H-pyrazol-4-yl)acetate has a molecular weight of 140.14 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-pyrazol-4-yl)acetate is sourced from PubChem (CID 58189211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).