ethyl 1-methyl-5-[[2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]amino]pyrazole-4-carboxylate

C23H34N4O3 — CID 56541411

IUPACethyl 1-methyl-5-[[2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]amino]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)CNC(c1ccc(CC(C)C)cc1)C(C)C
InChIInChI=1S/C23H34N4O3/c1-7-30-23(29)19-13-25-27(6)22(19)26-20(28)14-24-21(16(4)5)18-10-8-17(9-11-18)12-15(2)3/h8-11,13,15-16,21,24H,7,12,14H2,1-6H3,(H,26,28)
InChIKeyZOPRBSIVWBFGNB-UHFFFAOYSA-N
MW414.55 g/mol
LogP3.72
Rot. Bonds10

About ethyl 1-methyl-5-[[2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]amino]pyrazole-4-carboxylate

ethyl 1-methyl-5-[[2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]amino]pyrazole-4-carboxylate (PubChem CID 56541411) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is ethyl 1-methyl-5-[[2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]amino]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-[[2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]amino]pyrazole-4-carboxylate
PubChem CID56541411
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Nameethyl 1-methyl-5-[[2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]amino]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)CNC(c1ccc(CC(C)C)cc1)C(C)C
InChIInChI=1S/C23H34N4O3/c1-7-30-23(29)19-13-25-27(6)22(19)26-20(28)14-24-21(16(4)5)18-10-8-17(9-11-18)12-15(2)3/h8-11,13,15-16,21,24H,7,12,14H2,1-6H3,(H,26,28)
InChIKeyZOPRBSIVWBFGNB-UHFFFAOYSA-N
XLogP3.72
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 1-methyl-5-[[2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]amino]pyrazole-4-carboxylate with MolForge

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Related Compounds

N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide
CID 8995951
ethyl 5-[(2-benzamidoacetyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761488
ethyl 5-[(2-cyanoacetyl)amino]-1-methylpyrazole-4-carboxylate
CID 110459593
ethyl 5-(3-methoxypropanoylamino)-1-methylpyrazole-4-carboxylate
CID 110480553
ethyl 1-methyl-5-[[2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]acetyl]amino]pyrazole-4-carboxylate
CID 56541386
ethyl 5-[[2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]acetyl]amino]-1-methylpyrazole-4-carboxylate
CID 56578952
ethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate
CID 110460718
N,N-dimethyl-2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide
CID 78817279
N-(5-chloro-2-pyridinyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 41074018
2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-N-prop-2-ynylacetamide
CID 8996189
ethyl 5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxylate
CID 4622223
ethyl 5-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 110439644

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-[[2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]amino]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-5-[[2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]amino]pyrazole-4-carboxylate (CID 56541411) is ethyl 1-methyl-5-[[2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]amino]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-[[2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]amino]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-[[2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]amino]pyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1NC(=O)CNC(c1ccc(CC(C)C)cc1)C(C)C.
What is the InChIKey of ethyl 1-methyl-5-[[2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]amino]pyrazole-4-carboxylate?
The InChIKey is ZOPRBSIVWBFGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-7-30-23(29)19-13-25-27(6)22(19)26-20(28)14-24-21(16(4)5)18-10-8-17(9-11-18)12-15(2)3/h8-11,13,15-16,21,24H,7,12,14H2,1-6H3,(H,26,28).
What are the key properties of ethyl 1-methyl-5-[[2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]amino]pyrazole-4-carboxylate?
ethyl 1-methyl-5-[[2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]amino]pyrazole-4-carboxylate has a molecular weight of 414.55 g/mol, XLogP of 3.72, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-[[2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]amino]pyrazole-4-carboxylate is sourced from PubChem (CID 56541411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).