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

C17H19Cl2N3O3 — CID 120696694

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

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Related Compounds

2-[4-[[2-(3-chlorophenyl)-3-methylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696485
2-[4-(2,3-dimethylpentanoylamino)pyrazol-1-yl]-2-methylpropanoic acid
CID 120697322
2-methyl-2-[4-[[(2S)-2-phenylpropanoyl]amino]pyrazol-1-yl]propanoic acid
CID 120696756
N-(2-amino-2-methylpropyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
CID 119630154
3-(2,4-dichlorophenyl)-2-methyl-N-[2-(methylamino)ethyl]propanamide
CID 119503882
2-[4-[2-(1-benzofuran-2-yl)propanoylamino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697344
2-methyl-2-[4-[(2-propan-2-ylsulfonylacetyl)amino]pyrazol-1-yl]propanoic acid
CID 120696216
2-methyl-2-[4-[[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]amino]pyrazol-1-yl]propanoic acid
CID 120697209
2-[4-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697471
N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
CID 120506356
N-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide
CID 122145027
2-methyl-2-[4-(3-propan-2-yloxypropanoylamino)pyrazol-1-yl]propanoic acid
CID 120696798

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).