ethyl 5-(benzylcarbamoylamino)-1-methylpyrazole-4-carboxylate

C15H18N4O3 — CID 44574654

IUPACethyl 5-(benzylcarbamoylamino)-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)NCc1ccccc1
InChIInChI=1S/C15H18N4O3/c1-3-22-14(20)12-10-17-19(2)13(12)18-15(21)16-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H2,16,18,21)
InChIKeyFPWJZKBGUIZUKP-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.92
Rot. Bonds5

About ethyl 5-(benzylcarbamoylamino)-1-methylpyrazole-4-carboxylate

ethyl 5-(benzylcarbamoylamino)-1-methylpyrazole-4-carboxylate (PubChem CID 44574654) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 5-(benzylcarbamoylamino)-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(benzylcarbamoylamino)-1-methylpyrazole-4-carboxylate
PubChem CID44574654
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Nameethyl 5-(benzylcarbamoylamino)-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)NCc1ccccc1
InChIInChI=1S/C15H18N4O3/c1-3-22-14(20)12-10-17-19(2)13(12)18-15(21)16-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H2,16,18,21)
InChIKeyFPWJZKBGUIZUKP-UHFFFAOYSA-N
XLogP1.92
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(benzylcarbamoylamino)-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(benzylcarbamoylamino)-1-methylpyrazole-4-carboxylate (CID 44574654) is ethyl 5-(benzylcarbamoylamino)-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(benzylcarbamoylamino)-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(benzylcarbamoylamino)-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1NC(=O)NCc1ccccc1.
What is the InChIKey of ethyl 5-(benzylcarbamoylamino)-1-methylpyrazole-4-carboxylate?
The InChIKey is FPWJZKBGUIZUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-3-22-14(20)12-10-17-19(2)13(12)18-15(21)16-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H2,16,18,21).
What are the key properties of ethyl 5-(benzylcarbamoylamino)-1-methylpyrazole-4-carboxylate?
ethyl 5-(benzylcarbamoylamino)-1-methylpyrazole-4-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(benzylcarbamoylamino)-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 44574654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).