2-[3,5-dimethyl-1-[[4-(1-phenoxyethyl)phenyl]methyl]pyrazol-4-yl]acetic acid

C22H24N2O3 — CID 58071750

IUPAC2-[3,5-dimethyl-1-[[4-(1-phenoxyethyl)phenyl]methyl]pyrazol-4-yl]acetic acid
SMILESCc1nn(Cc2ccc(C(C)Oc3ccccc3)cc2)c(C)c1CC(=O)O
InChIInChI=1S/C22H24N2O3/c1-15-21(13-22(25)26)16(2)24(23-15)14-18-9-11-19(12-10-18)17(3)27-20-7-5-4-6-8-20/h4-12,17H,13-14H2,1-3H3,(H,25,26)
InChIKeyLILTTWRIOILJMB-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.32
Rot. Bonds7

About 2-[3,5-dimethyl-1-[[4-(1-phenoxyethyl)phenyl]methyl]pyrazol-4-yl]acetic acid

2-[3,5-dimethyl-1-[[4-(1-phenoxyethyl)phenyl]methyl]pyrazol-4-yl]acetic acid (PubChem CID 58071750) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-[[4-(1-phenoxyethyl)phenyl]methyl]pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-[[4-(1-phenoxyethyl)phenyl]methyl]pyrazol-4-yl]acetic acid
PubChem CID58071750
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name2-[3,5-dimethyl-1-[[4-(1-phenoxyethyl)phenyl]methyl]pyrazol-4-yl]acetic acid
SMILESCc1nn(Cc2ccc(C(C)Oc3ccccc3)cc2)c(C)c1CC(=O)O
InChIInChI=1S/C22H24N2O3/c1-15-21(13-22(25)26)16(2)24(23-15)14-18-9-11-19(12-10-18)17(3)27-20-7-5-4-6-8-20/h4-12,17H,13-14H2,1-3H3,(H,25,26)
InChIKeyLILTTWRIOILJMB-UHFFFAOYSA-N
XLogP4.32
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3,5-dimethyl-1-[[4-(1-phenoxyethyl)phenyl]methyl]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

Related Compounds

2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 61294269
2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1-[4-(phenoxymethyl)phenyl]ethanone
CID 159041371
2-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]acetic acid
CID 61294642
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 51326943
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(difluoromethoxy)benzamide
CID 27331273
2-[1-[[2-chloro-4-(2-oxo-2-phenylmethoxyethyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 58071810
4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]benzoic acid
CID 84612805
2-[1-[[4-(cyclohexa-1,3-dien-1-yloxymethyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 90184434
1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole
CID 13433139
tert-butyl 2-[3,5-dimethyl-1-[(4-methylsulfonylphenyl)methyl]pyrazol-4-yl]acetate
CID 67890715
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[1-(4-ethylphenyl)ethylamino]acetamide
CID 112805090
2-[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 65322784

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-[[4-(1-phenoxyethyl)phenyl]methyl]pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[3,5-dimethyl-1-[[4-(1-phenoxyethyl)phenyl]methyl]pyrazol-4-yl]acetic acid (CID 58071750) is 2-[3,5-dimethyl-1-[[4-(1-phenoxyethyl)phenyl]methyl]pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3,5-dimethyl-1-[[4-(1-phenoxyethyl)phenyl]methyl]pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[3,5-dimethyl-1-[[4-(1-phenoxyethyl)phenyl]methyl]pyrazol-4-yl]acetic acid is Cc1nn(Cc2ccc(C(C)Oc3ccccc3)cc2)c(C)c1CC(=O)O.
What is the InChIKey of 2-[3,5-dimethyl-1-[[4-(1-phenoxyethyl)phenyl]methyl]pyrazol-4-yl]acetic acid?
The InChIKey is LILTTWRIOILJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15-21(13-22(25)26)16(2)24(23-15)14-18-9-11-19(12-10-18)17(3)27-20-7-5-4-6-8-20/h4-12,17H,13-14H2,1-3H3,(H,25,26).
What are the key properties of 2-[3,5-dimethyl-1-[[4-(1-phenoxyethyl)phenyl]methyl]pyrazol-4-yl]acetic acid?
2-[3,5-dimethyl-1-[[4-(1-phenoxyethyl)phenyl]methyl]pyrazol-4-yl]acetic acid has a molecular weight of 364.45 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-[[4-(1-phenoxyethyl)phenyl]methyl]pyrazol-4-yl]acetic acid is sourced from PubChem (CID 58071750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).