2-[4-[(3-ethoxy-4-propoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid

C19H25N3O5 — CID 120697248

IUPAC2-[4-[(3-ethoxy-4-propoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCCCOc1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)cc1OCC
InChIInChI=1S/C19H25N3O5/c1-5-9-27-15-8-7-13(10-16(15)26-6-2)17(23)21-14-11-20-22(12-14)19(3,4)18(24)25/h7-8,10-12H,5-6,9H2,1-4H3,(H,21,23)(H,24,25)
InChIKeyIAADHGSZMLQTMR-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.14
Rot. Bonds9

About 2-[4-[(3-ethoxy-4-propoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid

2-[4-[(3-ethoxy-4-propoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 120697248) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[4-[(3-ethoxy-4-propoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[(3-ethoxy-4-propoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID120697248
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name2-[4-[(3-ethoxy-4-propoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCCCOc1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)cc1OCC
InChIInChI=1S/C19H25N3O5/c1-5-9-27-15-8-7-13(10-16(15)26-6-2)17(23)21-14-11-20-22(12-14)19(3,4)18(24)25/h7-8,10-12H,5-6,9H2,1-4H3,(H,21,23)(H,24,25)
InChIKeyIAADHGSZMLQTMR-UHFFFAOYSA-N
XLogP3.14
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696583
2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid
CID 120696431
2-methyl-2-[4-[[4-(3-methylbutoxy)benzoyl]amino]pyrazol-1-yl]propanoic acid
CID 120696595
2-methyl-2-[4-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]pyrazol-1-yl]propanoic acid
CID 120697645
2-[4-[[4-(diethylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696513
2-[4-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697747
N-(3-acetamidophenyl)-3-ethoxy-4-propoxybenzamide
CID 26103323
4-butoxy-N-[6-(dimethylamino)-3-pyridinyl]-3-ethoxybenzamide
CID 30272395
3,4-dimethoxy-N-[1-[1-(2-methoxyethylamino)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]benzamide
CID 71448798
2-[4-(1,3-benzodioxole-5-carbonylamino)pyrazol-1-yl]-2-methylpropanoic acid
CID 120697282
4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide
CID 9452358
N-[4-(dimethylsulfamoyl)phenyl]-3-ethoxy-4-propoxybenzamide
CID 9494456

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-ethoxy-4-propoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[(3-ethoxy-4-propoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid (CID 120697248) is 2-[4-[(3-ethoxy-4-propoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[(3-ethoxy-4-propoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[(3-ethoxy-4-propoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid is CCCOc1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)cc1OCC.
What is the InChIKey of 2-[4-[(3-ethoxy-4-propoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is IAADHGSZMLQTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-5-9-27-15-8-7-13(10-16(15)26-6-2)17(23)21-14-11-20-22(12-14)19(3,4)18(24)25/h7-8,10-12H,5-6,9H2,1-4H3,(H,21,23)(H,24,25).
What are the key properties of 2-[4-[(3-ethoxy-4-propoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
2-[4-[(3-ethoxy-4-propoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 375.43 g/mol, XLogP of 3.14, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-ethoxy-4-propoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 120697248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).