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

C7H10N2O2 — CID 20555345

IUPACethyl 2-(1H-pyrazol-4-yl)acetate
SMILESCCOC(=O)Cc1cn[nH]c1
InChIInChI=1S/C7H10N2O2/c1-2-11-7(10)3-6-4-8-9-5-6/h4-5H,2-3H2,1H3,(H,8,9)
InChIKeyPBZOICMRSLBUCV-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.52
Rot. Bonds3

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

ethyl 2-(1H-pyrazol-4-yl)acetate (PubChem CID 20555345) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is ethyl 2-(1H-pyrazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1H-pyrazol-4-yl)acetate
PubChem CID20555345
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Nameethyl 2-(1H-pyrazol-4-yl)acetate
SMILESCCOC(=O)Cc1cn[nH]c1
InChIInChI=1S/C7H10N2O2/c1-2-11-7(10)3-6-4-8-9-5-6/h4-5H,2-3H2,1H3,(H,8,9)
InChIKeyPBZOICMRSLBUCV-UHFFFAOYSA-N
XLogP0.52
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-pyrazol-4-yl)acetamide
CID 22405808
ethyl 2-[2-(1H-pyrazol-4-ylmethylamino)-1,3-thiazol-4-yl]acetate
CID 80575988
ethyl 3-oxo-3-(1H-pyrazol-4-yl)propanoate
CID 22925068
ethyl 2-phenylacetate
CID 7590
ethyl 2-phenylacetate;hydrate
CID 141257001
ethyl 3-(1H-pyrazol-4-yl)prop-2-enoate
CID 123975493
ethyl 1H-pyrazole-4-carboxylate;molecular hydrogen
CID 164534260
ethyl 2-(4-trimethylsilylphenyl)acetate
CID 125466611
ethyl 2-(1-methyl-6-oxopyridazin-4-yl)acetate
CID 155796907
ethyl 2-(6-methoxy-3-pyridinyl)acetate
CID 131699443
CID 57459210
CID 57459210
3-(1H-pyrazol-4-yl)propanamide
CID 22405803

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1H-pyrazol-4-yl)acetate?
The IUPAC name of ethyl 2-(1H-pyrazol-4-yl)acetate (CID 20555345) is ethyl 2-(1H-pyrazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(1H-pyrazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(1H-pyrazol-4-yl)acetate is CCOC(=O)Cc1cn[nH]c1.
What is the InChIKey of ethyl 2-(1H-pyrazol-4-yl)acetate?
The InChIKey is PBZOICMRSLBUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-11-7(10)3-6-4-8-9-5-6/h4-5H,2-3H2,1H3,(H,8,9).
What are the key properties of ethyl 2-(1H-pyrazol-4-yl)acetate?
ethyl 2-(1H-pyrazol-4-yl)acetate has a molecular weight of 154.17 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1H-pyrazol-4-yl)acetate is sourced from PubChem (CID 20555345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).