[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

C24H19N3O4 — CID 2550150

IUPAC[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccco1)Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C24H19N3O4/c28-23(17-31-24(29)14-13-20-12-7-15-30-20)25-22-16-21(18-8-3-1-4-9-18)26-27(22)19-10-5-2-6-11-19/h1-16H,17H2,(H,25,28)/b14-13+
InChIKeyGTCPIEDTJQBDFF-BUHFOSPRSA-N
MW413.43 g/mol
LogP4.33
Rot. Bonds7

About [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 2550150) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID2550150
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccco1)Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C24H19N3O4/c28-23(17-31-24(29)14-13-20-12-7-15-30-20)25-22-16-21(18-8-3-1-4-9-18)26-27(22)19-10-5-2-6-11-19/h1-16H,17H2,(H,25,28)/b14-13+
InChIKeyGTCPIEDTJQBDFF-BUHFOSPRSA-N
XLogP4.33
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-(2-furoylamino)-N-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 653788
5-(furan-2-carbonylamino)-1-phenyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 1067709
N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 2473696
[2-[(5-Methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7853842
N-[3-(2-fluorophenyl)-1-phenyl-1H-pyrazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 16030775
N-[3-(2-methoxyphenyl)-1-phenyl-1H-pyrazol-5-yl]-2-phenoxybutanamide
CID 16030795
[2-[(5-Methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 24982767
N-(2-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyrazol-1-yl)benzylamino)-2-oxoethyl)furan-2-carboxamide
CID 49862398
2-Cyano-N-(5-methyl-2-phenyl-2H-pyrazol-3-yl)-3-(5-p-tolyl-furan-2-yl)-acrylamide
CID 1554430
5-(2-furoylamino)-N-(2-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1284303
2-(2-fluorophenoxy)-N-[3-(3-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]acetamide
CID 16030752
N-[3-(2-fluorophenyl)-1-phenyl-1H-pyrazol-5-yl]-2-(3-methylphenoxy)acetamide
CID 16030773

Frequently Asked Questions

What is the IUPAC name of [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate (CID 2550150) is [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is O=C(COC(=O)/C=C/c1ccco1)Nc1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is GTCPIEDTJQBDFF-BUHFOSPRSA-N. The full InChI is InChI=1S/C24H19N3O4/c28-23(17-31-24(29)14-13-20-12-7-15-30-20)25-22-16-21(18-8-3-1-4-9-18)26-27(22)19-10-5-2-6-11-19/h1-16H,17H2,(H,25,28)/b14-13+.
What are the key properties of [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 413.43 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 2550150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).