2-[4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

C19H24N4O4 — CID 120696902

IUPAC2-[4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCC(=O)N(CCc1ccccc1)CC(=O)Nc1cnn(C(C)(C)C(=O)O)c1
InChIInChI=1S/C19H24N4O4/c1-14(24)22(10-9-15-7-5-4-6-8-15)13-17(25)21-16-11-20-23(12-16)19(2,3)18(26)27/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,25)(H,26,27)
InChIKeyVHWXXWOABJGBAN-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.73
Rot. Bonds8

About 2-[4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

2-[4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 120696902) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID120696902
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name2-[4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCC(=O)N(CCc1ccccc1)CC(=O)Nc1cnn(C(C)(C)C(=O)O)c1
InChIInChI=1S/C19H24N4O4/c1-14(24)22(10-9-15-7-5-4-6-8-15)13-17(25)21-16-11-20-23(12-16)19(2,3)18(26)27/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,25)(H,26,27)
InChIKeyVHWXXWOABJGBAN-UHFFFAOYSA-N
XLogP1.73
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-[acetyl(2-phenylethyl)amino]acetamide
CID 113164087
2-methyl-2-[4-[[2-(2-methylphenyl)sulfanylacetyl]amino]pyrazol-1-yl]propanoic acid
CID 120696215
N-(4-acetylphenyl)-2-[acetyl(3-phenylpropyl)amino]acetamide
CID 113165901
2-[4-[(1-benzylcyclopropanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696283
2-[3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]acetic acid
CID 120524711
methyl 3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]benzoate
CID 113164089
2-[acetyl(3-phenylpropyl)amino]-N-(3-bromophenyl)acetamide
CID 113165914
2-[acetyl(3-phenylpropyl)amino]-N-(4-cyanophenyl)acetamide
CID 113165933
2-[4-[(1-benzylcyclobutanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697767
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-phenylacetamide
CID 113160473
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(3,5-dichlorophenyl)acetamide
CID 113166982
2-[acetyl(2-phenylethyl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 113164038

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (CID 120696902) is 2-[4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is CC(=O)N(CCc1ccccc1)CC(=O)Nc1cnn(C(C)(C)C(=O)O)c1.
What is the InChIKey of 2-[4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is VHWXXWOABJGBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-14(24)22(10-9-15-7-5-4-6-8-15)13-17(25)21-16-11-20-23(12-16)19(2,3)18(26)27/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,25)(H,26,27).
What are the key properties of 2-[4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
2-[4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 372.43 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 120696902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).