2-(3,5-dimethylpyrazol-1-yl)acetic acid

C7H10N2O2 — CID 572875

IUPAC2-(3,5-dimethylpyrazol-1-yl)acetic acid
SMILESCc1cc(C)n(CC(=O)O)n1
InChIInChI=1S/C7H10N2O2/c1-5-3-6(2)9(8-5)4-7(10)11/h3H,4H2,1-2H3,(H,10,11)
InChIKeyJYSWEDYPQJOEPO-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.58
Rot. Bonds2

About 2-(3,5-dimethylpyrazol-1-yl)acetic acid

2-(3,5-dimethylpyrazol-1-yl)acetic acid (PubChem CID 572875) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)acetic acid
PubChem CID572875
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)acetic acid
SMILESCc1cc(C)n(CC(=O)O)n1
InChIInChI=1S/C7H10N2O2/c1-5-3-6(2)9(8-5)4-7(10)11/h3H,4H2,1-2H3,(H,10,11)
InChIKeyJYSWEDYPQJOEPO-UHFFFAOYSA-N
XLogP0.58
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethylpyrazol-1-methanol
CID 96393
(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
CID 919266
2-(3,4,5-trimethyl-1H-pyrazol-1-yl)acetic acid
CID 651055
2-(5-methyl-1H-pyrazol-1-yl)propanoic acid
CID 6485706
2-(3,5-dimethyl-1H-pyrazol-1-yl)succinic acid
CID 2791626
4-(3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid
CID 3159309
2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-ol
CID 259665
2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid
CID 596118
3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoic acid
CID 3131824
(4-Amino-3,5-dimethyl-pyrazol-1-yl)-acetic acid
CID 3159650
1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-, ethyl ester
CID 667902
2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
CID 819616

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)acetic acid?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)acetic acid (CID 572875) is 2-(3,5-dimethylpyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)acetic acid is Cc1cc(C)n(CC(=O)O)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)acetic acid?
The InChIKey is JYSWEDYPQJOEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5-3-6(2)9(8-5)4-7(10)11/h3H,4H2,1-2H3,(H,10,11).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)acetic acid?
2-(3,5-dimethylpyrazol-1-yl)acetic acid has a molecular weight of 154.17 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)acetic acid is sourced from PubChem (CID 572875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).