ethyl 1-[2-(furan-2-carbonylamino)phenyl]pyrazole-3-carboxylate

C17H15N3O4 — CID 56783751

IUPACethyl 1-[2-(furan-2-carbonylamino)phenyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1ccn(-c2ccccc2NC(=O)c2ccco2)n1
InChIInChI=1S/C17H15N3O4/c1-2-23-17(22)13-9-10-20(19-13)14-7-4-3-6-12(14)18-16(21)15-8-5-11-24-15/h3-11H,2H2,1H3,(H,18,21)
InChIKeyZEUCIRAEAOYAIG-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.89
Rot. Bonds5

About ethyl 1-[2-(furan-2-carbonylamino)phenyl]pyrazole-3-carboxylate

ethyl 1-[2-(furan-2-carbonylamino)phenyl]pyrazole-3-carboxylate (PubChem CID 56783751) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is ethyl 1-[2-(furan-2-carbonylamino)phenyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(furan-2-carbonylamino)phenyl]pyrazole-3-carboxylate
PubChem CID56783751
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Nameethyl 1-[2-(furan-2-carbonylamino)phenyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1ccn(-c2ccccc2NC(=O)c2ccco2)n1
InChIInChI=1S/C17H15N3O4/c1-2-23-17(22)13-9-10-20(19-13)14-7-4-3-6-12(14)18-16(21)15-8-5-11-24-15/h3-11H,2H2,1H3,(H,18,21)
InChIKeyZEUCIRAEAOYAIG-UHFFFAOYSA-N
XLogP2.89
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[2-[4-(methylamino)butanoylamino]phenyl]pyrazole-3-carboxylate;hydrochloride
CID 119779887
ethyl 1-[2-[(3-aminocyclopentanecarbonyl)amino]phenyl]pyrazole-3-carboxylate;hydrochloride
CID 119779889
ethyl 1-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]pyrazole-3-carboxylate;hydrochloride
CID 119779895
(1-propyltetrazol-5-yl)methyl 2-(furan-2-carbonylamino)benzoate
CID 8578938
N-(2-ethylphenyl)furan-2-carboxamide
CID 763274
benzyl 1-(2-aminophenyl)pyrazole-3-carboxylate
CID 61308676
N-(3-amino-2-methylphenyl)furan-2-carboxamide
CID 16775861
1-[2-(butanoylamino)phenyl]pyrazole-3-carboxylic acid
CID 167950435
N-(2-hydroxyphenyl)furan-2-carboxamide
CID 761889
3-methoxypropyl 1-(2-aminophenyl)pyrazole-3-carboxylate
CID 61309225
N-[2-[(2-aminoacetyl)amino]phenyl]furan-2-carboxamide
CID 39184130
ethyl 2-[[5-amino-6-[2-(furan-2-carbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate
CID 19152080

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(furan-2-carbonylamino)phenyl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-[2-(furan-2-carbonylamino)phenyl]pyrazole-3-carboxylate (CID 56783751) is ethyl 1-[2-(furan-2-carbonylamino)phenyl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(furan-2-carbonylamino)phenyl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(furan-2-carbonylamino)phenyl]pyrazole-3-carboxylate is CCOC(=O)c1ccn(-c2ccccc2NC(=O)c2ccco2)n1.
What is the InChIKey of ethyl 1-[2-(furan-2-carbonylamino)phenyl]pyrazole-3-carboxylate?
The InChIKey is ZEUCIRAEAOYAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-2-23-17(22)13-9-10-20(19-13)14-7-4-3-6-12(14)18-16(21)15-8-5-11-24-15/h3-11H,2H2,1H3,(H,18,21).
What are the key properties of ethyl 1-[2-(furan-2-carbonylamino)phenyl]pyrazole-3-carboxylate?
ethyl 1-[2-(furan-2-carbonylamino)phenyl]pyrazole-3-carboxylate has a molecular weight of 325.32 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(furan-2-carbonylamino)phenyl]pyrazole-3-carboxylate is sourced from PubChem (CID 56783751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).