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

C5H8N2O2 — CID 70540357

IUPAC2-(4,5-dihydro-1H-pyrazol-4-yl)acetic acid
SMILESO=C(O)CC1C=NNC1
InChIInChI=1S/C5H8N2O2/c8-5(9)1-4-2-6-7-3-4/h2,4,7H,1,3H2,(H,8,9)
InChIKeyKUAKQQHOKAUDJD-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.33
Rot. Bonds2

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

2-(4,5-dihydro-1H-pyrazol-4-yl)acetic acid (PubChem CID 70540357) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-pyrazol-4-yl)acetic acid
PubChem CID70540357
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name2-(4,5-dihydro-1H-pyrazol-4-yl)acetic acid
SMILESO=C(O)CC1C=NNC1
InChIInChI=1S/C5H8N2O2/c8-5(9)1-4-2-6-7-3-4/h2,4,7H,1,3H2,(H,8,9)
InChIKeyKUAKQQHOKAUDJD-UHFFFAOYSA-N
XLogP-0.33
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(4,5-dihydro-1H-pyrazol-4-yl)acetic acid (CID 70540357) is 2-(4,5-dihydro-1H-pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(4,5-dihydro-1H-pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(4,5-dihydro-1H-pyrazol-4-yl)acetic acid is O=C(O)CC1C=NNC1.
What is the InChIKey of 2-(4,5-dihydro-1H-pyrazol-4-yl)acetic acid?
The InChIKey is KUAKQQHOKAUDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c8-5(9)1-4-2-6-7-3-4/h2,4,7H,1,3H2,(H,8,9).
What are the key properties of 2-(4,5-dihydro-1H-pyrazol-4-yl)acetic acid?
2-(4,5-dihydro-1H-pyrazol-4-yl)acetic acid has a molecular weight of 128.13 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-pyrazol-4-yl)acetic acid is sourced from PubChem (CID 70540357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).