2-[5-methyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]acetic acid

C15H18N2O2 — CID 82528610

IUPAC2-[5-methyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]acetic acid
SMILESCc1c(CC(=O)O)cnn1-c1ccccc1C(C)C
InChIInChI=1S/C15H18N2O2/c1-10(2)13-6-4-5-7-14(13)17-11(3)12(9-16-17)8-15(18)19/h4-7,9-10H,8H2,1-3H3,(H,18,19)
InChIKeySATAVIDHMCIKNA-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.93
Rot. Bonds4

About 2-[5-methyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]acetic acid

2-[5-methyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]acetic acid (PubChem CID 82528610) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[5-methyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]acetic acid
PubChem CID82528610
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[5-methyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]acetic acid
SMILESCc1c(CC(=O)O)cnn1-c1ccccc1C(C)C
InChIInChI=1S/C15H18N2O2/c1-10(2)13-6-4-5-7-14(13)17-11(3)12(9-16-17)8-15(18)19/h4-7,9-10H,8H2,1-3H3,(H,18,19)
InChIKeySATAVIDHMCIKNA-UHFFFAOYSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-methyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[5-methyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]acetic acid (CID 82528610) is 2-[5-methyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-methyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-methyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]acetic acid is Cc1c(CC(=O)O)cnn1-c1ccccc1C(C)C.
What is the InChIKey of 2-[5-methyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]acetic acid?
The InChIKey is SATAVIDHMCIKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(2)13-6-4-5-7-14(13)17-11(3)12(9-16-17)8-15(18)19/h4-7,9-10H,8H2,1-3H3,(H,18,19).
What are the key properties of 2-[5-methyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]acetic acid?
2-[5-methyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]acetic acid has a molecular weight of 258.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]acetic acid is sourced from PubChem (CID 82528610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).