2-[4-[[4-(diethylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

C19H24N4O4 — CID 120696513

IUPAC2-[4-[[4-(diethylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCCN(CC)C(=O)c1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)cc1
InChIInChI=1S/C19H24N4O4/c1-5-22(6-2)17(25)14-9-7-13(8-10-14)16(24)21-15-11-20-23(12-15)19(3,4)18(26)27/h7-12H,5-6H2,1-4H3,(H,21,24)(H,26,27)
InChIKeyVPANKZLOXOKXGX-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.44
Rot. Bonds7

About 2-[4-[[4-(diethylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

2-[4-[[4-(diethylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 120696513) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[4-[[4-(diethylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[[4-(diethylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID120696513
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name2-[4-[[4-(diethylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCCN(CC)C(=O)c1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)cc1
InChIInChI=1S/C19H24N4O4/c1-5-22(6-2)17(25)14-9-7-13(8-10-14)16(24)21-15-11-20-23(12-15)19(3,4)18(26)27/h7-12H,5-6H2,1-4H3,(H,21,24)(H,26,27)
InChIKeyVPANKZLOXOKXGX-UHFFFAOYSA-N
XLogP2.44
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696583
2-[4-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697747
2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid
CID 120696431
1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 166194202
2-methyl-2-[4-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pyrazol-1-yl]propanoic acid
CID 120697314
2-[4-(1,3-benzodioxole-5-carbonylamino)pyrazol-1-yl]-2-methylpropanoic acid
CID 120697282
2-methyl-2-[4-[[4-(3-methylbutoxy)benzoyl]amino]pyrazol-1-yl]propanoic acid
CID 120696595
2-methyl-2-[4-(thiophene-3-carbonylamino)pyrazol-1-yl]propanoic acid
CID 120696625
2-[4-[(3-ethoxy-4-propoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697248
2-methyl-2-[4-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]pyrazol-1-yl]propanoic acid
CID 120697645
2-methyl-2-[4-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pyrazol-1-yl]propanoic acid
CID 120696169
2-[4-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697471

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(diethylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[[4-(diethylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (CID 120696513) is 2-[4-[[4-(diethylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[[4-(diethylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[[4-(diethylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is CCN(CC)C(=O)c1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)cc1.
What is the InChIKey of 2-[4-[[4-(diethylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is VPANKZLOXOKXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-5-22(6-2)17(25)14-9-7-13(8-10-14)16(24)21-15-11-20-23(12-15)19(3,4)18(26)27/h7-12H,5-6H2,1-4H3,(H,21,24)(H,26,27).
What are the key properties of 2-[4-[[4-(diethylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
2-[4-[[4-(diethylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 372.43 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(diethylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 120696513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).