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

C14H16N2O3 — CID 82484377

IUPAC2-[4-(2-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid
SMILESCOc1ccccc1-c1c(C)nn(CC(=O)O)c1C
InChIInChI=1S/C14H16N2O3/c1-9-14(10(2)16(15-9)8-13(17)18)11-6-4-5-7-12(11)19-3/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyDPDFZONMTPIRSJ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.26
Rot. Bonds4

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

2-[4-(2-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid (PubChem CID 82484377) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid
PubChem CID82484377
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[4-(2-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid
SMILESCOc1ccccc1-c1c(C)nn(CC(=O)O)c1C
InChIInChI=1S/C14H16N2O3/c1-9-14(10(2)16(15-9)8-13(17)18)11-6-4-5-7-12(11)19-3/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyDPDFZONMTPIRSJ-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[(2-methoxyphenyl)methoxy]phenyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 72837890
2-(4-methoxy-3-methylindazol-1-yl)acetic acid
CID 84685422
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzoic acid
CID 63804633
2-[4-(4-ethoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid
CID 82488999
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(2-methoxyphenyl)ethanone
CID 62129748
6-ethyl-3-(2-methoxyphenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 137481226
2-[4-(4-ethylsulfanylphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid
CID 39826171
2-[5-(2-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 39362974
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 43445280
3-[5-(2-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]propanoic acid
CID 82485015
1-ethyl-3-(2-methoxyphenyl)pyrazole-4-carboxylic acid
CID 20848740

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid (CID 82484377) is 2-[4-(2-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid is COc1ccccc1-c1c(C)nn(CC(=O)O)c1C.
What is the InChIKey of 2-[4-(2-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid?
The InChIKey is DPDFZONMTPIRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-14(10(2)16(15-9)8-13(17)18)11-6-4-5-7-12(11)19-3/h4-7H,8H2,1-3H3,(H,17,18).
What are the key properties of 2-[4-(2-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid?
2-[4-(2-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid has a molecular weight of 260.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid is sourced from PubChem (CID 82484377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).