2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]propanoic acid

C15H18N2O2 — CID 55209552

IUPAC2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]propanoic acid
SMILESCc1ccccc1-n1nc(C)c(C(C)C(=O)O)c1C
InChIInChI=1S/C15H18N2O2/c1-9-7-5-6-8-13(9)17-12(4)14(11(3)16-17)10(2)15(18)19/h5-8,10H,1-4H3,(H,18,19)
InChIKeyNEFURWQJWNOKSQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.99
Rot. Bonds3

About 2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]propanoic acid

2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]propanoic acid (PubChem CID 55209552) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]propanoic acid
PubChem CID55209552
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]propanoic acid
SMILESCc1ccccc1-n1nc(C)c(C(C)C(=O)O)c1C
InChIInChI=1S/C15H18N2O2/c1-9-7-5-6-8-13(9)17-12(4)14(11(3)16-17)10(2)15(18)19/h5-8,10H,1-4H3,(H,18,19)
InChIKeyNEFURWQJWNOKSQ-UHFFFAOYSA-N
XLogP2.99
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]propanoic acid?
The IUPAC name of 2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]propanoic acid (CID 55209552) is 2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]propanoic acid.
What is the SMILES notation for 2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]propanoic acid?
The canonical SMILES for 2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]propanoic acid is Cc1ccccc1-n1nc(C)c(C(C)C(=O)O)c1C.
What is the InChIKey of 2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]propanoic acid?
The InChIKey is NEFURWQJWNOKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9-7-5-6-8-13(9)17-12(4)14(11(3)16-17)10(2)15(18)19/h5-8,10H,1-4H3,(H,18,19).
What are the key properties of 2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]propanoic acid?
2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]propanoic acid has a molecular weight of 258.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]propanoic acid is sourced from PubChem (CID 55209552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).