[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate

C20H25ClN4O4 — CID 55464340

IUPAC[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
SMILESCc1cc(NC(=O)COC(=O)C(CC(C)C)NC(=O)c2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C20H25ClN4O4/c1-12(2)9-16(22-19(27)14-5-7-15(21)8-6-14)20(28)29-11-18(26)23-17-10-13(3)24-25(17)4/h5-8,10,12,16H,9,11H2,1-4H3,(H,22,27)(H,23,26)
InChIKeyCDZMFSXQHQBHEC-UHFFFAOYSA-N
MW420.90 g/mol
LogP2.71
Rot. Bonds8

About [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate

[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate (PubChem CID 55464340) has the molecular formula C20H25ClN4O4 and a molecular weight of 420.90 g/mol. Its IUPAC name is [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Name[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
PubChem CID55464340
Molecular FormulaC20H25ClN4O4
Molecular Weight420.90 g/mol
Exact Mass420.16
IUPAC Name[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
SMILESCc1cc(NC(=O)COC(=O)C(CC(C)C)NC(=O)c2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C20H25ClN4O4/c1-12(2)9-16(22-19(27)14-5-7-15(21)8-6-14)20(28)29-11-18(26)23-17-10-13(3)24-25(17)4/h5-8,10,12,16H,9,11H2,1-4H3,(H,22,27)(H,23,26)
InChIKeyCDZMFSXQHQBHEC-UHFFFAOYSA-N
XLogP2.71
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate with MolForge

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Related Compounds

(2-acetamido-2-oxoethyl) (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 2128639
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 42965752
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 41161348
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7648812
[2-(methylcarbamoylamino)-2-oxoethyl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7351586
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 42965779
benzyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7351613
ethyl 4-[[2-[(2S)-2-benzamido-4-methylpentanoyl]oxyacetyl]amino]benzoate
CID 42582977
[2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 4318846
3-cyanopropyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 55355112
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
CID 7563517
(6-chloro-3-pyridinyl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 43049522

Frequently Asked Questions

What is the IUPAC name of [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate?
The IUPAC name of [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate (CID 55464340) is [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate.
What is the SMILES notation for [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate?
The canonical SMILES for [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate is Cc1cc(NC(=O)COC(=O)C(CC(C)C)NC(=O)c2ccc(Cl)cc2)n(C)n1.
What is the InChIKey of [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate?
The InChIKey is CDZMFSXQHQBHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O4/c1-12(2)9-16(22-19(27)14-5-7-15(21)8-6-14)20(28)29-11-18(26)23-17-10-13(3)24-25(17)4/h5-8,10,12,16H,9,11H2,1-4H3,(H,22,27)(H,23,26).
What are the key properties of [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate?
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate has a molecular weight of 420.90 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate is sourced from PubChem (CID 55464340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).