2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid

C7H10N2O2 — CID 2146178

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
SMILESCc1n[nH]c(C)c1CC(=O)O
InChIInChI=1S/C7H10N2O2/c1-4-6(3-7(10)11)5(2)9-8-4/h3H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyHHILOQLQBYEUTP-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.65
Rot. Bonds2

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid

2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid (PubChem CID 2146178) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
PubChem CID2146178
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
SMILESCc1n[nH]c(C)c1CC(=O)O
InChIInChI=1S/C7H10N2O2/c1-4-6(3-7(10)11)5(2)9-8-4/h3H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyHHILOQLQBYEUTP-UHFFFAOYSA-N
XLogP0.65
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid (CID 2146178) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid is Cc1n[nH]c(C)c1CC(=O)O.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid?
The InChIKey is HHILOQLQBYEUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4-6(3-7(10)11)5(2)9-8-4/h3H2,1-2H3,(H,8,9)(H,10,11).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid?
2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid has a molecular weight of 154.17 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid is sourced from PubChem (CID 2146178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).