2-(3-ethyl-5-methylpyrazol-1-yl)acetic acid

C8H12N2O2 — CID 83635686

IUPAC2-(3-ethyl-5-methylpyrazol-1-yl)acetic acid
SMILESCCc1cc(C)n(CC(=O)O)n1
InChIInChI=1S/C8H12N2O2/c1-3-7-4-6(2)10(9-7)5-8(11)12/h4H,3,5H2,1-2H3,(H,11,12)
InChIKeyMVOSLCGYPWPLEV-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.84
Rot. Bonds3

About 2-(3-ethyl-5-methylpyrazol-1-yl)acetic acid

2-(3-ethyl-5-methylpyrazol-1-yl)acetic acid (PubChem CID 83635686) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(3-ethyl-5-methylpyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-ethyl-5-methylpyrazol-1-yl)acetic acid
PubChem CID83635686
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-(3-ethyl-5-methylpyrazol-1-yl)acetic acid
SMILESCCc1cc(C)n(CC(=O)O)n1
InChIInChI=1S/C8H12N2O2/c1-3-7-4-6(2)10(9-7)5-8(11)12/h4H,3,5H2,1-2H3,(H,11,12)
InChIKeyMVOSLCGYPWPLEV-UHFFFAOYSA-N
XLogP0.84
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-3-ethylpyrazol-1-yl)acetic acid
CID 66015514
2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpyrazol-1-yl]acetic acid
CID 174156217
2-(4-ethylimidazol-1-yl)acetic acid
CID 54402950
2-[4-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]acetic acid
CID 105345519
5-(3,5-diethylpyrazol-1-yl)pentanoic acid
CID 82693000
2-(5-methylpyrazol-1-yl)acetic acid
CID 7018400
2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetic acid;dihydrochloride
CID 91667864
2-amino-3-(1-ethyl-5-methylpyrazol-3-yl)propanoic acid
CID 19620649
(E)-4-(3,5-diethylpyrazol-1-yl)-3-methylbut-2-enoic acid
CID 82692446
2-(5-bromo-3-methyl-6-oxopyridazin-1-yl)acetic acid
CID 84705944
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
3-ethyl-1-[(2-methylphenyl)methyl]pyrazole-5-carboxylic acid
CID 82294116

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-5-methylpyrazol-1-yl)acetic acid?
The IUPAC name of 2-(3-ethyl-5-methylpyrazol-1-yl)acetic acid (CID 83635686) is 2-(3-ethyl-5-methylpyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(3-ethyl-5-methylpyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(3-ethyl-5-methylpyrazol-1-yl)acetic acid is CCc1cc(C)n(CC(=O)O)n1.
What is the InChIKey of 2-(3-ethyl-5-methylpyrazol-1-yl)acetic acid?
The InChIKey is MVOSLCGYPWPLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-7-4-6(2)10(9-7)5-8(11)12/h4H,3,5H2,1-2H3,(H,11,12).
What are the key properties of 2-(3-ethyl-5-methylpyrazol-1-yl)acetic acid?
2-(3-ethyl-5-methylpyrazol-1-yl)acetic acid has a molecular weight of 168.20 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-5-methylpyrazol-1-yl)acetic acid is sourced from PubChem (CID 83635686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).