2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid

C14H16N2O3 — CID 82484421

IUPAC2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid
SMILESCOc1ccc(C)cc1-c1cc(CC(=O)O)nn1C
InChIInChI=1S/C14H16N2O3/c1-9-4-5-13(19-3)11(6-9)12-7-10(8-14(17)18)15-16(12)2/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyDCCGIUOZULVRGI-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.03
Rot. Bonds4

About 2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid

2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid (PubChem CID 82484421) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid
PubChem CID82484421
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid
SMILESCOc1ccc(C)cc1-c1cc(CC(=O)O)nn1C
InChIInChI=1S/C14H16N2O3/c1-9-4-5-13(19-3)11(6-9)12-7-10(8-14(17)18)15-16(12)2/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyDCCGIUOZULVRGI-UHFFFAOYSA-N
XLogP2.03
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]methanethiol
CID 82159589
2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]acetic acid
CID 82479288
5-(2-methoxy-5-methylphenyl)-1-methyl-N-propylpyrazole-3-carboxamide
CID 110336742
N-(2,4-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 110336792
5-(2-methoxy-5-methylphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 110336747
5-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 82085728
5-(2-methoxy-5-methylphenyl)-1-methyl-N-prop-2-enylpyrazole-3-carboxamide
CID 110336745
4-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carbonyl]piperazine-1-carbaldehyde
CID 110336762
5-(2-methoxy-5-methylphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336789
2-[6-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyridin-3-yl]acetic acid
CID 82517496
2-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 39376254
N-cyclopropyl-5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-amine
CID 116827533

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid?
The IUPAC name of 2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid (CID 82484421) is 2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid?
The canonical SMILES for 2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid is COc1ccc(C)cc1-c1cc(CC(=O)O)nn1C.
What is the InChIKey of 2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid?
The InChIKey is DCCGIUOZULVRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-4-5-13(19-3)11(6-9)12-7-10(8-14(17)18)15-16(12)2/h4-7H,8H2,1-3H3,(H,17,18).
What are the key properties of 2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid?
2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid has a molecular weight of 260.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid is sourced from PubChem (CID 82484421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).