3-[4-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid

C15H18N2O3 — CID 105423921

IUPAC3-[4-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid
SMILESCOc1cccc(-c2cn(C)nc2CC(C)C(=O)O)c1
InChIInChI=1S/C15H18N2O3/c1-10(15(18)19)7-14-13(9-17(2)16-14)11-5-4-6-12(8-11)20-3/h4-6,8-10H,7H2,1-3H3,(H,18,19)
InChIKeyILDYNRLVSVUTLO-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.36
Rot. Bonds5

About 3-[4-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid

3-[4-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid (PubChem CID 105423921) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[4-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid
PubChem CID105423921
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-[4-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid
SMILESCOc1cccc(-c2cn(C)nc2CC(C)C(=O)O)c1
InChIInChI=1S/C15H18N2O3/c1-10(15(18)19)7-14-13(9-17(2)16-14)11-5-4-6-12(8-11)20-3/h4-6,8-10H,7H2,1-3H3,(H,18,19)
InChIKeyILDYNRLVSVUTLO-UHFFFAOYSA-N
XLogP2.36
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]propanoic acid
CID 105423795
3-[4-(3-fluorophenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid
CID 105423819
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
2-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetic acid
CID 105423982
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanoic acid
CID 139389914
2-[2-(3-methoxyphenyl)phenyl]acetic acid
CID 2759556
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
methyl 1-methyl-4-[3-(trifluoromethoxy)phenyl]pyrazole-3-carboxylate
CID 170457620
3-(6-methoxyisoquinolin-1-yl)-2-methylpropanoic acid
CID 116995409
1-tert-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxylic acid
CID 39095997
3-ethyl-4-(4-methoxyphenyl)-1-methylpyrazole
CID 70834828
3-(3-methoxyphenyl)sulfanyl-2-methylpropanoic acid
CID 43538137

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[4-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid (CID 105423921) is 3-[4-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid is COc1cccc(-c2cn(C)nc2CC(C)C(=O)O)c1.
What is the InChIKey of 3-[4-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid?
The InChIKey is ILDYNRLVSVUTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10(15(18)19)7-14-13(9-17(2)16-14)11-5-4-6-12(8-11)20-3/h4-6,8-10H,7H2,1-3H3,(H,18,19).
What are the key properties of 3-[4-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid?
3-[4-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 105423921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).