ethyl 4-[2-[4-[3-(4-chloropyrazol-1-yl)propanoylamino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate

C20H28ClN7O4 — CID 19539711

IUPACethyl 4-[2-[4-[3-(4-chloropyrazol-1-yl)propanoylamino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(C)n2cc(NC(=O)CCn3cc(Cl)cn3)c(C)n2)CC1
InChIInChI=1S/C20H28ClN7O4/c1-4-32-20(31)26-9-7-25(8-10-26)19(30)15(3)28-13-17(14(2)24-28)23-18(29)5-6-27-12-16(21)11-22-27/h11-13,15H,4-10H2,1-3H3,(H,23,29)
InChIKeySFVWHIOIFMCPSA-UHFFFAOYSA-N
MW465.94 g/mol
LogP1.93
Rot. Bonds7

About ethyl 4-[2-[4-[3-(4-chloropyrazol-1-yl)propanoylamino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate

ethyl 4-[2-[4-[3-(4-chloropyrazol-1-yl)propanoylamino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate (PubChem CID 19539711) has the molecular formula C20H28ClN7O4 and a molecular weight of 465.94 g/mol. Its IUPAC name is ethyl 4-[2-[4-[3-(4-chloropyrazol-1-yl)propanoylamino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[4-[3-(4-chloropyrazol-1-yl)propanoylamino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate
PubChem CID19539711
Molecular FormulaC20H28ClN7O4
Molecular Weight465.94 g/mol
Exact Mass465.19
IUPAC Nameethyl 4-[2-[4-[3-(4-chloropyrazol-1-yl)propanoylamino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(C)n2cc(NC(=O)CCn3cc(Cl)cn3)c(C)n2)CC1
InChIInChI=1S/C20H28ClN7O4/c1-4-32-20(31)26-9-7-25(8-10-26)19(30)15(3)28-13-17(14(2)24-28)23-18(29)5-6-27-12-16(21)11-22-27/h11-13,15H,4-10H2,1-3H3,(H,23,29)
InChIKeySFVWHIOIFMCPSA-UHFFFAOYSA-N
XLogP1.93
TPSA114.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[2-[4-[3-(4-chloropyrazol-1-yl)propanoylamino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[2-[4-[2-(4-chloropyrazol-1-yl)propanoylamino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate
CID 19538675
ethyl 4-[2-[3-methyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazol-1-yl]propanoyl]piperazine-1-carboxylate
CID 19540018
ethyl 4-[2-[4-[3-(4-bromo-3-nitropyrazol-1-yl)propanoylamino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate
CID 19567974
ethyl 4-[2-[4-[2-(4-bromopyrazol-1-yl)propanoylamino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate
CID 19537754
ethyl 4-[2-[3-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrazol-1-yl]propanoyl]piperazine-1-carboxylate
CID 19340994
ethyl 4-[2-[4-[(2-chlorobenzoyl)amino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate
CID 19340900
ethyl 4-[2-[4-[[2-(4-bromo-3-methylpyrazol-1-yl)acetyl]amino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate
CID 19517364
ethyl 4-[2-[4-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate
CID 19479476
ethyl 4-[2-[3-methyl-4-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]pyrazol-1-yl]propanoyl]piperazine-1-carboxylate
CID 19564194
ethyl 4-[2-[4-[(4-iodo-1-methylpyrazole-3-carbonyl)amino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate
CID 19262146
ethyl 4-[2-[4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate
CID 19447672
ethyl 4-[2-[3-methyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]pyrazol-1-yl]propanoyl]piperazine-1-carboxylate
CID 19522677

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[4-[3-(4-chloropyrazol-1-yl)propanoylamino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[4-[3-(4-chloropyrazol-1-yl)propanoylamino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate (CID 19539711) is ethyl 4-[2-[4-[3-(4-chloropyrazol-1-yl)propanoylamino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[4-[3-(4-chloropyrazol-1-yl)propanoylamino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[4-[3-(4-chloropyrazol-1-yl)propanoylamino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C(C)n2cc(NC(=O)CCn3cc(Cl)cn3)c(C)n2)CC1.
What is the InChIKey of ethyl 4-[2-[4-[3-(4-chloropyrazol-1-yl)propanoylamino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate?
The InChIKey is SFVWHIOIFMCPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN7O4/c1-4-32-20(31)26-9-7-25(8-10-26)19(30)15(3)28-13-17(14(2)24-28)23-18(29)5-6-27-12-16(21)11-22-27/h11-13,15H,4-10H2,1-3H3,(H,23,29).
What are the key properties of ethyl 4-[2-[4-[3-(4-chloropyrazol-1-yl)propanoylamino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate?
ethyl 4-[2-[4-[3-(4-chloropyrazol-1-yl)propanoylamino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate has a molecular weight of 465.94 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[4-[3-(4-chloropyrazol-1-yl)propanoylamino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 19539711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).