2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetic acid

C9H14N2O3 — CID 16774284

IUPAC2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetic acid
SMILESCc1nn(CCO)c(C)c1CC(=O)O
InChIInChI=1S/C9H14N2O3/c1-6-8(5-9(13)14)7(2)11(10-6)3-4-12/h12H,3-5H2,1-2H3,(H,13,14)
InChIKeyWUNOHFQJUHIXDM-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.12
Rot. Bonds4

About 2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetic acid

2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetic acid (PubChem CID 16774284) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetic acid
PubChem CID16774284
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetic acid
SMILESCc1nn(CCO)c(C)c1CC(=O)O
InChIInChI=1S/C9H14N2O3/c1-6-8(5-9(13)14)7(2)11(10-6)3-4-12/h12H,3-5H2,1-2H3,(H,13,14)
InChIKeyWUNOHFQJUHIXDM-UHFFFAOYSA-N
XLogP0.12
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4,5-trimethyl-1H-pyrazol-1-yl)acetic acid
CID 651055
3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propanoic acid
CID 1096386
2-(trimethyl-1H-pyrazol-4-yl)ethan-1-ol
CID 23005918
2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid
CID 7131172
2-oxo-2-(trimethyl-1H-pyrazol-4-yl)acetic acid
CID 7131332
2-(trimethyl-1H-pyrazol-4-yl)acetic acid
CID 16227249
3-(3,4,5-Trimethyl-pyrazol-1-yl)-butyric acid
CID 3160220
2-(trimethyl-1H-pyrazol-4-yl)propanoic acid
CID 23005838
2-(3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl)acetic acid
CID 23005849
2-(1,3-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 49879438
2-(1,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 59229531
2-[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid
CID 47002204

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetic acid (CID 16774284) is 2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetic acid is Cc1nn(CCO)c(C)c1CC(=O)O.
What is the InChIKey of 2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetic acid?
The InChIKey is WUNOHFQJUHIXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-6-8(5-9(13)14)7(2)11(10-6)3-4-12/h12H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetic acid?
2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetic acid has a molecular weight of 198.22 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetic acid is sourced from PubChem (CID 16774284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).