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

C16H20N4O4 — CID 110682300

IUPACethyl 4-[3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2c(-c3ccco3)n[nH]c2C)CC1
InChIInChI=1S/C16H20N4O4/c1-3-23-16(22)20-8-6-19(7-9-20)15(21)13-11(2)17-18-14(13)12-5-4-10-24-12/h4-5,10H,3,6-9H2,1-2H3,(H,17,18)
InChIKeyZDHBGLWRIFRGRO-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.89
Rot. Bonds3

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

ethyl 4-[3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carbonyl]piperazine-1-carboxylate (PubChem CID 110682300) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is ethyl 4-[3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carbonyl]piperazine-1-carboxylate
PubChem CID110682300
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Nameethyl 4-[3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2c(-c3ccco3)n[nH]c2C)CC1
InChIInChI=1S/C16H20N4O4/c1-3-23-16(22)20-8-6-19(7-9-20)15(21)13-11(2)17-18-14(13)12-5-4-10-24-12/h4-5,10H,3,6-9H2,1-2H3,(H,17,18)
InChIKeyZDHBGLWRIFRGRO-UHFFFAOYSA-N
XLogP1.89
TPSA91.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[4-(furan-2-yl)benzoyl]piperazine-1-carboxylate
CID 71690378
[3-(furan-2-yl)-5-methyl-1H-pyrazol-4-yl]methanol
CID 54851051
3-(furan-2-yl)-5-methyl-N-(2-methylphenyl)-1H-pyrazole-4-carboxamide
CID 110682318
N-(4-carbamoylphenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 110682346
ethyl 4-[[3-(furan-2-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate
CID 1249849
3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 110682270
N-(4-chlorophenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 110682329
ethyl 4-[(3R)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-3-carbonyl]piperazine-1-carboxylate
CID 30866545
ethyl 4-[2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetyl]piperazine-1-carboxylate
CID 110305616
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
ethyl 4-(6-oxopyran-3-carbonyl)piperazine-1-carboxylate
CID 110697483
[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 118793944

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carbonyl]piperazine-1-carboxylate (CID 110682300) is ethyl 4-[3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2c(-c3ccco3)n[nH]c2C)CC1.
What is the InChIKey of ethyl 4-[3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carbonyl]piperazine-1-carboxylate?
The InChIKey is ZDHBGLWRIFRGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-3-23-16(22)20-8-6-19(7-9-20)15(21)13-11(2)17-18-14(13)12-5-4-10-24-12/h4-5,10H,3,6-9H2,1-2H3,(H,17,18).
What are the key properties of ethyl 4-[3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carbonyl]piperazine-1-carboxylate?
ethyl 4-[3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carbonyl]piperazine-1-carboxylate has a molecular weight of 332.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 110682300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).