ethyl 1-(furan-2-carbonyl)-3-propylpyrazole-4-carboxylate

C14H16N2O4 — CID 2807780

IUPACethyl 1-(furan-2-carbonyl)-3-propylpyrazole-4-carboxylate
SMILESCCCc1nn(C(=O)c2ccco2)cc1C(=O)OCC
InChIInChI=1S/C14H16N2O4/c1-3-6-11-10(14(18)19-4-2)9-16(15-11)13(17)12-7-5-8-20-12/h5,7-9H,3-4,6H2,1-2H3
InChIKeyKXYAGIOOVGHXDC-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.29
Rot. Bonds5

About ethyl 1-(furan-2-carbonyl)-3-propylpyrazole-4-carboxylate

ethyl 1-(furan-2-carbonyl)-3-propylpyrazole-4-carboxylate (PubChem CID 2807780) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is ethyl 1-(furan-2-carbonyl)-3-propylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(furan-2-carbonyl)-3-propylpyrazole-4-carboxylate
PubChem CID2807780
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Nameethyl 1-(furan-2-carbonyl)-3-propylpyrazole-4-carboxylate
SMILESCCCc1nn(C(=O)c2ccco2)cc1C(=O)OCC
InChIInChI=1S/C14H16N2O4/c1-3-6-11-10(14(18)19-4-2)9-16(15-11)13(17)12-7-5-8-20-12/h5,7-9H,3-4,6H2,1-2H3
InChIKeyKXYAGIOOVGHXDC-UHFFFAOYSA-N
XLogP2.29
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-(furan-2-carbonyl)-3-propylpyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(furan-2-carbonyl)-3-propylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(furan-2-carbonyl)-3-propylpyrazole-4-carboxylate (CID 2807780) is ethyl 1-(furan-2-carbonyl)-3-propylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(furan-2-carbonyl)-3-propylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(furan-2-carbonyl)-3-propylpyrazole-4-carboxylate is CCCc1nn(C(=O)c2ccco2)cc1C(=O)OCC.
What is the InChIKey of ethyl 1-(furan-2-carbonyl)-3-propylpyrazole-4-carboxylate?
The InChIKey is KXYAGIOOVGHXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-3-6-11-10(14(18)19-4-2)9-16(15-11)13(17)12-7-5-8-20-12/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of ethyl 1-(furan-2-carbonyl)-3-propylpyrazole-4-carboxylate?
ethyl 1-(furan-2-carbonyl)-3-propylpyrazole-4-carboxylate has a molecular weight of 276.29 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(furan-2-carbonyl)-3-propylpyrazole-4-carboxylate is sourced from PubChem (CID 2807780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).