ethyl 1-[1-(furan-2-carbonyl)piperidin-4-yl]-5-propylpyrazole-3-carboxylate

C19H25N3O4 — CID 46097601

IUPACethyl 1-[1-(furan-2-carbonyl)piperidin-4-yl]-5-propylpyrazole-3-carboxylate
SMILESCCCc1cc(C(=O)OCC)nn1C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H25N3O4/c1-3-6-15-13-16(19(24)25-4-2)20-22(15)14-8-10-21(11-9-14)18(23)17-7-5-12-26-17/h5,7,12-14H,3-4,6,8-11H2,1-2H3
InChIKeyZUZQFUZCOMGGGH-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.08
Rot. Bonds6

About ethyl 1-[1-(furan-2-carbonyl)piperidin-4-yl]-5-propylpyrazole-3-carboxylate

ethyl 1-[1-(furan-2-carbonyl)piperidin-4-yl]-5-propylpyrazole-3-carboxylate (PubChem CID 46097601) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is ethyl 1-[1-(furan-2-carbonyl)piperidin-4-yl]-5-propylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(furan-2-carbonyl)piperidin-4-yl]-5-propylpyrazole-3-carboxylate
PubChem CID46097601
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Nameethyl 1-[1-(furan-2-carbonyl)piperidin-4-yl]-5-propylpyrazole-3-carboxylate
SMILESCCCc1cc(C(=O)OCC)nn1C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H25N3O4/c1-3-6-15-13-16(19(24)25-4-2)20-22(15)14-8-10-21(11-9-14)18(23)17-7-5-12-26-17/h5,7,12-14H,3-4,6,8-11H2,1-2H3
InChIKeyZUZQFUZCOMGGGH-UHFFFAOYSA-N
XLogP3.08
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(furan-2-carbonyl)piperidin-4-yl]-5-propylpyrazole-3-carboxylate?
The IUPAC name of ethyl 1-[1-(furan-2-carbonyl)piperidin-4-yl]-5-propylpyrazole-3-carboxylate (CID 46097601) is ethyl 1-[1-(furan-2-carbonyl)piperidin-4-yl]-5-propylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-[1-(furan-2-carbonyl)piperidin-4-yl]-5-propylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-[1-(furan-2-carbonyl)piperidin-4-yl]-5-propylpyrazole-3-carboxylate is CCCc1cc(C(=O)OCC)nn1C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of ethyl 1-[1-(furan-2-carbonyl)piperidin-4-yl]-5-propylpyrazole-3-carboxylate?
The InChIKey is ZUZQFUZCOMGGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-3-6-15-13-16(19(24)25-4-2)20-22(15)14-8-10-21(11-9-14)18(23)17-7-5-12-26-17/h5,7,12-14H,3-4,6,8-11H2,1-2H3.
What are the key properties of ethyl 1-[1-(furan-2-carbonyl)piperidin-4-yl]-5-propylpyrazole-3-carboxylate?
ethyl 1-[1-(furan-2-carbonyl)piperidin-4-yl]-5-propylpyrazole-3-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(furan-2-carbonyl)piperidin-4-yl]-5-propylpyrazole-3-carboxylate is sourced from PubChem (CID 46097601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).