Skip to content

2-[4-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

C17H19Cl2N3O3 — CID 120696694

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[4-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCC(Cc1ccc(Cl)cc1Cl)C(=O)Nc1cnn(C(C)(C)C(=O)O)c1
InChIInChI=1S/C17H19Cl2N3O3/c1-10(6-11-4-5-12(18)7-14(11)19)15(23)21-13-8-20-22(9-13)17(2,3)16(24)25/h4-5,7-10H,6H2,1-3H3,(H,21,23)(H,24,25)
InChIKeyVPFHENXTTLXGBG-UHFFFAOYSA-N
MW384.26 g/mol
LogP3.83
Rot. Bonds6

About 2-[4-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

2-[4-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 120696694) has the molecular formula C17H19Cl2N3O3 and a molecular weight of 384.26 g/mol. Its IUPAC name is 2-[4-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID120696694
Molecular FormulaC17H19Cl2N3O3
Molecular Weight384.26 g/mol
Exact Mass383.08
IUPAC Name2-[4-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCC(Cc1ccc(Cl)cc1Cl)C(=O)Nc1cnn(C(C)(C)C(=O)O)c1
InChIInChI=1S/C17H19Cl2N3O3/c1-10(6-11-4-5-12(18)7-14(11)19)15(23)21-13-8-20-22(9-13)17(2,3)16(24)25/h4-5,7-10H,6H2,1-3H3,(H,21,23)(H,24,25)
InChIKeyVPFHENXTTLXGBG-UHFFFAOYSA-N
XLogP3.83
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]-2-methylpropanoic 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-[4-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (CID 120696694) is 2-[4-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is CC(Cc1ccc(Cl)cc1Cl)C(=O)Nc1cnn(C(C)(C)C(=O)O)c1.
What is the InChIKey of 2-[4-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is VPFHENXTTLXGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O3/c1-10(6-11-4-5-12(18)7-14(11)19)15(23)21-13-8-20-22(9-13)17(2,3)16(24)25/h4-5,7-10H,6H2,1-3H3,(H,21,23)(H,24,25).
What are the key properties of 2-[4-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
2-[4-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 384.26 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 120696694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.