2-ethoxy-4-(4-methylpyrazol-1-yl)butanoic acid

C10H16N2O3 — CID 63073217

IUPAC2-ethoxy-4-(4-methylpyrazol-1-yl)butanoic acid
SMILESCCOC(CCn1cc(C)cn1)C(=O)O
InChIInChI=1S/C10H16N2O3/c1-3-15-9(10(13)14)4-5-12-7-8(2)6-11-12/h6-7,9H,3-5H2,1-2H3,(H,13,14)
InChIKeyOMXLKOSIIYLSFC-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.07
Rot. Bonds6

About 2-ethoxy-4-(4-methylpyrazol-1-yl)butanoic acid

2-ethoxy-4-(4-methylpyrazol-1-yl)butanoic acid (PubChem CID 63073217) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-ethoxy-4-(4-methylpyrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name2-ethoxy-4-(4-methylpyrazol-1-yl)butanoic acid
PubChem CID63073217
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-ethoxy-4-(4-methylpyrazol-1-yl)butanoic acid
SMILESCCOC(CCn1cc(C)cn1)C(=O)O
InChIInChI=1S/C10H16N2O3/c1-3-15-9(10(13)14)4-5-12-7-8(2)6-11-12/h6-7,9H,3-5H2,1-2H3,(H,13,14)
InChIKeyOMXLKOSIIYLSFC-UHFFFAOYSA-N
XLogP1.07
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)butanoate
CID 63039754
2-ethoxy-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
CID 63073155
(2S)-2-hydroxy-4-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]butanoic acid
CID 114131625
1-amino-4-(4-methylpyrazol-1-yl)butan-2-ol
CID 64821224
2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide
CID 19327956
2-ethoxy-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanoic acid
CID 63098055
2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide
CID 103881624
ethyl 2-(4-methylpyrazol-1-yl)pentanoate
CID 83037654
N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328226
2-ethoxy-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanoic acid
CID 63068067
4-bromo-2-ethoxybutanoic acid
CID 174871505
1-(4-bromobutyl)-4-methylpyrazole
CID 60871748

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(4-methylpyrazol-1-yl)butanoic acid?
The IUPAC name of 2-ethoxy-4-(4-methylpyrazol-1-yl)butanoic acid (CID 63073217) is 2-ethoxy-4-(4-methylpyrazol-1-yl)butanoic acid.
What is the SMILES notation for 2-ethoxy-4-(4-methylpyrazol-1-yl)butanoic acid?
The canonical SMILES for 2-ethoxy-4-(4-methylpyrazol-1-yl)butanoic acid is CCOC(CCn1cc(C)cn1)C(=O)O.
What is the InChIKey of 2-ethoxy-4-(4-methylpyrazol-1-yl)butanoic acid?
The InChIKey is OMXLKOSIIYLSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-15-9(10(13)14)4-5-12-7-8(2)6-11-12/h6-7,9H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-ethoxy-4-(4-methylpyrazol-1-yl)butanoic acid?
2-ethoxy-4-(4-methylpyrazol-1-yl)butanoic acid has a molecular weight of 212.25 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(4-methylpyrazol-1-yl)butanoic acid is sourced from PubChem (CID 63073217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).