2-pyrazol-1-ylethyl acetate

C7H10N2O2 — CID 58803586

IUPAC2-pyrazol-1-ylethyl acetate
SMILESCC(=O)OCCn1cccn1
InChIInChI=1S/C7H10N2O2/c1-7(10)11-6-5-9-4-2-3-8-9/h2-4H,5-6H2,1H3
InChIKeyLANCRLNVIGASRO-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.45
Rot. Bonds3

About 2-pyrazol-1-ylethyl acetate

2-pyrazol-1-ylethyl acetate (PubChem CID 58803586) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-pyrazol-1-ylethyl acetate.

Molecular Properties

Compound Name2-pyrazol-1-ylethyl acetate
PubChem CID58803586
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-pyrazol-1-ylethyl acetate
SMILESCC(=O)OCCn1cccn1
InChIInChI=1S/C7H10N2O2/c1-7(10)11-6-5-9-4-2-3-8-9/h2-4H,5-6H2,1H3
InChIKeyLANCRLNVIGASRO-UHFFFAOYSA-N
XLogP0.45
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Pyrazol-1-ylacetic acid
CID 3717462
1-(2-Hydroxyethyl)-1H-pyrazole
CID 237031
3-(1H-pyrazol-1-yl)propanoic acid
CID 1092972
Ethyl 1H-pyrazole-1-butanoate
CID 3066547
2-(1H-Pyrazol-1-yl)propanoic acid
CID 16793133
1-(1H-pyrazol-1-yl)propan-2-ol
CID 19621383
2-(2-(1H-pyrazol-1-yl)ethoxy)ethan-1-ol
CID 50990682
ethyl 2-(3-amino-1H-pyrazol-1-yl)acetate
CID 5200378
1-(2-Methoxyethyl)-1H-pyrazole
CID 21859716
1-(1-Ethoxyethyl)-1H-pyrazole
CID 46941562
alpha,alpha-Dimethyl-1H-pyrazole-1-acetic acid
CID 2763345
Ethyl 3-methyl-1H-pyrazole-1-acetate
CID 4578874

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylethyl acetate?
The IUPAC name of 2-pyrazol-1-ylethyl acetate (CID 58803586) is 2-pyrazol-1-ylethyl acetate.
What is the SMILES notation for 2-pyrazol-1-ylethyl acetate?
The canonical SMILES for 2-pyrazol-1-ylethyl acetate is CC(=O)OCCn1cccn1.
What is the InChIKey of 2-pyrazol-1-ylethyl acetate?
The InChIKey is LANCRLNVIGASRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-7(10)11-6-5-9-4-2-3-8-9/h2-4H,5-6H2,1H3.
What are the key properties of 2-pyrazol-1-ylethyl acetate?
2-pyrazol-1-ylethyl acetate has a molecular weight of 154.17 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylethyl acetate is sourced from PubChem (CID 58803586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).