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

C10H16N2O2 — CID 105450083

IUPAC2-(5-ethyl-1-methylpyrazol-3-yl)-2-methylpropanoic acid
SMILESCCc1cc(C(C)(C)C(=O)O)nn1C
InChIInChI=1S/C10H16N2O2/c1-5-7-6-8(11-12(7)4)10(2,3)9(13)14/h6H,5H2,1-4H3,(H,13,14)
InChIKeyZYKQFNASGSZDQM-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.34
Rot. Bonds3

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

2-(5-ethyl-1-methylpyrazol-3-yl)-2-methylpropanoic acid (PubChem CID 105450083) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(5-ethyl-1-methylpyrazol-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(5-ethyl-1-methylpyrazol-3-yl)-2-methylpropanoic acid
PubChem CID105450083
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(5-ethyl-1-methylpyrazol-3-yl)-2-methylpropanoic acid
SMILESCCc1cc(C(C)(C)C(=O)O)nn1C
InChIInChI=1S/C10H16N2O2/c1-5-7-6-8(11-12(7)4)10(2,3)9(13)14/h6H,5H2,1-4H3,(H,13,14)
InChIKeyZYKQFNASGSZDQM-UHFFFAOYSA-N
XLogP1.34
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-tert-butyl-1-methylpyrazol-5-yl)propanoic acid
CID 83702889
2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-methylbutanoic acid
CID 79801800
2-(1-ethylimidazol-4-yl)-2-methylpropanoic acid
CID 130509294
(5-ethyl-1-methylpyrazol-3-yl)methanol
CID 23005581
1-(5-ethyl-1-methylpyrazol-3-yl)prop-2-en-1-one
CID 142591969
N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 6489269
2-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-ethylbutanoic acid
CID 79809719
3-(3-tert-butyl-1-methylpyrazol-5-yl)-3-oxopropanoic acid
CID 170887044
2-(3-tert-butyl-1-methylpyrazol-5-yl)acetaldehyde
CID 83828239
(3-tert-butyl-1-methylpyrazol-5-yl)methanamine
CID 66644048
3-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 119249467
propan-2-yl 5-ethyl-1-methylpyrazole-3-carboxylate
CID 176935397

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1-methylpyrazol-3-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(5-ethyl-1-methylpyrazol-3-yl)-2-methylpropanoic acid (CID 105450083) is 2-(5-ethyl-1-methylpyrazol-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(5-ethyl-1-methylpyrazol-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(5-ethyl-1-methylpyrazol-3-yl)-2-methylpropanoic acid is CCc1cc(C(C)(C)C(=O)O)nn1C.
What is the InChIKey of 2-(5-ethyl-1-methylpyrazol-3-yl)-2-methylpropanoic acid?
The InChIKey is ZYKQFNASGSZDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5-7-6-8(11-12(7)4)10(2,3)9(13)14/h6H,5H2,1-4H3,(H,13,14).
What are the key properties of 2-(5-ethyl-1-methylpyrazol-3-yl)-2-methylpropanoic acid?
2-(5-ethyl-1-methylpyrazol-3-yl)-2-methylpropanoic acid has a molecular weight of 196.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1-methylpyrazol-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 105450083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).