ethyl 4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate

C15H18N4O4 — CID 19515134

IUPACethyl 4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1
InChIInChI=1S/C15H18N4O4/c1-2-22-15(21)19-7-5-18(6-8-19)14(20)12-10-11(16-17-12)13-4-3-9-23-13/h3-4,9-10H,2,5-8H2,1H3,(H,16,17)
InChIKeyWNKZMJDFMVEMBW-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.58
Rot. Bonds3

About ethyl 4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate

ethyl 4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate (PubChem CID 19515134) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is ethyl 4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate
PubChem CID19515134
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Nameethyl 4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1
InChIInChI=1S/C15H18N4O4/c1-2-22-15(21)19-7-5-18(6-8-19)14(20)12-10-11(16-17-12)13-4-3-9-23-13/h3-4,9-10H,2,5-8H2,1H3,(H,16,17)
InChIKeyWNKZMJDFMVEMBW-UHFFFAOYSA-N
XLogP1.58
TPSA91.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate (CID 19515134) is ethyl 4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1.
What is the InChIKey of ethyl 4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate?
The InChIKey is WNKZMJDFMVEMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-2-22-15(21)19-7-5-18(6-8-19)14(20)12-10-11(16-17-12)13-4-3-9-23-13/h3-4,9-10H,2,5-8H2,1H3,(H,16,17).
What are the key properties of ethyl 4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate?
ethyl 4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate has a molecular weight of 318.33 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 19515134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).