3-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]propanoic acid

C14H16N2O2 — CID 82478389

IUPAC3-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]propanoic acid
SMILESCc1cccc(-c2c(CCC(=O)O)n[nH]c2C)c1
InChIInChI=1S/C14H16N2O2/c1-9-4-3-5-11(8-9)14-10(2)15-16-12(14)6-7-13(17)18/h3-5,8H,6-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyPBWGINHYMHPTHO-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.71
Rot. Bonds4

About 3-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]propanoic acid

3-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]propanoic acid (PubChem CID 82478389) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]propanoic acid
PubChem CID82478389
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]propanoic acid
SMILESCc1cccc(-c2c(CCC(=O)O)n[nH]c2C)c1
InChIInChI=1S/C14H16N2O2/c1-9-4-3-5-11(8-9)14-10(2)15-16-12(14)6-7-13(17)18/h3-5,8H,6-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyPBWGINHYMHPTHO-UHFFFAOYSA-N
XLogP2.71
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanoic acid
CID 82390426
3-[5-bromo-1-methyl-2-(3-methylphenyl)imidazol-4-yl]propanoic acid
CID 84605389
N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]-2-(3-methylphenyl)acetamide
CID 53197836
2-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanamine
CID 82476314
2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetic acid
CID 4962552
3-[4-(methoxymethyl)-2-(3-methylphenyl)-1,3-thiazol-5-yl]propanoic acid
CID 82440255
3-[2-(3-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoic acid
CID 82433961
3-[2-(3-methylphenyl)-1H-indol-5-yl]propanoic acid
CID 142738544
3-[5-methyl-1-(3-methylphenyl)triazol-4-yl]propanoic acid
CID 82198090
3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-(4-phenylbutan-2-yl)benzamide
CID 122556842
3,5-dimethoxy-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide
CID 53197830
3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid
CID 82301525

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]propanoic acid?
The IUPAC name of 3-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]propanoic acid (CID 82478389) is 3-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]propanoic acid.
What is the SMILES notation for 3-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]propanoic acid?
The canonical SMILES for 3-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]propanoic acid is Cc1cccc(-c2c(CCC(=O)O)n[nH]c2C)c1.
What is the InChIKey of 3-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]propanoic acid?
The InChIKey is PBWGINHYMHPTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-4-3-5-11(8-9)14-10(2)15-16-12(14)6-7-13(17)18/h3-5,8H,6-7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]propanoic acid?
3-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]propanoic acid has a molecular weight of 244.29 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]propanoic acid is sourced from PubChem (CID 82478389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).