2-(5-ethyl-1H-pyrazol-4-yl)acetic acid

C7H10N2O2 — CID 82416657

IUPAC2-(5-ethyl-1H-pyrazol-4-yl)acetic acid
SMILESCCc1[nH]ncc1CC(=O)O
InChIInChI=1S/C7H10N2O2/c1-2-6-5(3-7(10)11)4-8-9-6/h4H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyRCERNEADCMMLAO-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.60
Rot. Bonds3

About 2-(5-ethyl-1H-pyrazol-4-yl)acetic acid

2-(5-ethyl-1H-pyrazol-4-yl)acetic acid (PubChem CID 82416657) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(5-ethyl-1H-pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5-ethyl-1H-pyrazol-4-yl)acetic acid
PubChem CID82416657
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-(5-ethyl-1H-pyrazol-4-yl)acetic acid
SMILESCCc1[nH]ncc1CC(=O)O
InChIInChI=1S/C7H10N2O2/c1-2-6-5(3-7(10)11)4-8-9-6/h4H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyRCERNEADCMMLAO-UHFFFAOYSA-N
XLogP0.60
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1H-pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(5-ethyl-1H-pyrazol-4-yl)acetic acid (CID 82416657) is 2-(5-ethyl-1H-pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(5-ethyl-1H-pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(5-ethyl-1H-pyrazol-4-yl)acetic acid is CCc1[nH]ncc1CC(=O)O.
What is the InChIKey of 2-(5-ethyl-1H-pyrazol-4-yl)acetic acid?
The InChIKey is RCERNEADCMMLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-6-5(3-7(10)11)4-8-9-6/h4H,2-3H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-(5-ethyl-1H-pyrazol-4-yl)acetic acid?
2-(5-ethyl-1H-pyrazol-4-yl)acetic acid has a molecular weight of 154.17 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1H-pyrazol-4-yl)acetic acid is sourced from PubChem (CID 82416657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).