2-[3-hydroxy-5-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]acetic acid

C15H18N2O3 — CID 167883959

IUPAC2-[3-hydroxy-5-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]acetic acid
SMILESCC(C)c1nn(C)cc1-c1cc(O)cc(CC(=O)O)c1
InChIInChI=1S/C15H18N2O3/c1-9(2)15-13(8-17(3)16-15)11-4-10(6-14(19)20)5-12(18)7-11/h4-5,7-9,18H,6H2,1-3H3,(H,19,20)
InChIKeySLVIJLYCUGYZLG-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.54
Rot. Bonds4

About 2-[3-hydroxy-5-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]acetic acid

2-[3-hydroxy-5-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]acetic acid (PubChem CID 167883959) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[3-hydroxy-5-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-hydroxy-5-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]acetic acid
PubChem CID167883959
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[3-hydroxy-5-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]acetic acid
SMILESCC(C)c1nn(C)cc1-c1cc(O)cc(CC(=O)O)c1
InChIInChI=1S/C15H18N2O3/c1-9(2)15-13(8-17(3)16-15)11-4-10(6-14(19)20)5-12(18)7-11/h4-5,7-9,18H,6H2,1-3H3,(H,19,20)
InChIKeySLVIJLYCUGYZLG-UHFFFAOYSA-N
XLogP2.54
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenol
CID 165460179
1-[4-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]ethanone
CID 66010362
1-[3-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]propan-1-one
CID 66008702
4-[4-(bromomethyl)phenyl]-1-methyl-3-propan-2-ylpyrazole
CID 165451622
5-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
CID 154770177
3-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylic acid
CID 107525280
1-[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)thiophen-2-yl]propan-1-one
CID 114263175
4-[3-(4-chlorophenyl)phenyl]-1-methyl-3-propan-2-ylpyrazole
CID 166333754
2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide
CID 43754758
N-[1-[4-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
CID 66010565
[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methanamine
CID 106888861
2-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
CID 84786594

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-5-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]acetic acid?
The IUPAC name of 2-[3-hydroxy-5-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]acetic acid (CID 167883959) is 2-[3-hydroxy-5-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-hydroxy-5-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]acetic acid?
The canonical SMILES for 2-[3-hydroxy-5-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]acetic acid is CC(C)c1nn(C)cc1-c1cc(O)cc(CC(=O)O)c1.
What is the InChIKey of 2-[3-hydroxy-5-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]acetic acid?
The InChIKey is SLVIJLYCUGYZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9(2)15-13(8-17(3)16-15)11-4-10(6-14(19)20)5-12(18)7-11/h4-5,7-9,18H,6H2,1-3H3,(H,19,20).
What are the key properties of 2-[3-hydroxy-5-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]acetic acid?
2-[3-hydroxy-5-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-5-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]acetic acid is sourced from PubChem (CID 167883959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).