(E)-2-cyano-3-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)prop-2-enamide

C18H14N4O2 — CID 2421445

IUPAC(E)-2-cyano-3-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)prop-2-enamide
SMILESCc1cc(NC(=O)/C(C#N)=C/c2ccco2)n(-c2ccccc2)n1
InChIInChI=1S/C18H14N4O2/c1-13-10-17(22(21-13)15-6-3-2-4-7-15)20-18(23)14(12-19)11-16-8-5-9-24-16/h2-11H,1H3,(H,20,23)/b14-11+
InChIKeyAEWZEQVADMMGBV-SDNWHVSQSA-N
MW318.34 g/mol
LogP3.32
Rot. Bonds4

About (E)-2-cyano-3-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)prop-2-enamide

(E)-2-cyano-3-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)prop-2-enamide (PubChem CID 2421445) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is (E)-2-cyano-3-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)prop-2-enamide
PubChem CID2421445
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name(E)-2-cyano-3-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)prop-2-enamide
SMILESCc1cc(NC(=O)/C(C#N)=C/c2ccco2)n(-c2ccccc2)n1
InChIInChI=1S/C18H14N4O2/c1-13-10-17(22(21-13)15-6-3-2-4-7-15)20-18(23)14(12-19)11-16-8-5-9-24-16/h2-11H,1H3,(H,20,23)/b14-11+
InChIKeyAEWZEQVADMMGBV-SDNWHVSQSA-N
XLogP3.32
TPSA83.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 2473696
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)furan-2-carboxamide
CID 135753132
2-Cyano-N-(5-methyl-2-phenyl-2H-pyrazol-3-yl)-3-(5-p-tolyl-furan-2-yl)-acrylamide
CID 1554430
(E)-2-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enamide
CID 1527403
(2E)-N-[2-(4-fluorophenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]-3-(furan-2-yl)prop-2-enamide
CID 6273343
3-tert-Butyl-5-{[(furan-2-ylmethyl)-amino]-methyl}-1-phenyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
CID 135450638
3-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-6-[(E)-2-(furan-2-yl)ethenyl]-4H-1,2,4-triazin-5-one
CID 135968229
(E)-3-(furan-2-yl)-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]prop-2-enamide
CID 5787013
(2Z)-3-(furan-2-yl)-N-[2-(2-methylphenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]prop-2-enamide
CID 6270782
N-(4-{[6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazin-3-yl]amino}phenyl)furan-2-carboxamide
CID 25668698
3-((1E)-2-cyano-2-(2-furyl)vinyl)-5-amino-1-phenylpyrazole-4-carbonitrile
CID 5752887
N-(3-methyl-1-(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)furan-2-carboxamide
CID 135551425

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)prop-2-enamide (CID 2421445) is (E)-2-cyano-3-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)prop-2-enamide is Cc1cc(NC(=O)/C(C#N)=C/c2ccco2)n(-c2ccccc2)n1.
What is the InChIKey of (E)-2-cyano-3-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)prop-2-enamide?
The InChIKey is AEWZEQVADMMGBV-SDNWHVSQSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-13-10-17(22(21-13)15-6-3-2-4-7-15)20-18(23)14(12-19)11-16-8-5-9-24-16/h2-11H,1H3,(H,20,23)/b14-11+.
What are the key properties of (E)-2-cyano-3-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)prop-2-enamide?
(E)-2-cyano-3-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)prop-2-enamide has a molecular weight of 318.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(furan-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 2421445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).