N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide

C21H16N4O2 — CID 9023528

IUPACN-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccco1)c1ccccc1
InChIInChI=1S/C21H16N4O2/c26-21(16-8-3-1-4-9-16)23-22-14-17-15-25(18-10-5-2-6-11-18)24-20(17)19-12-7-13-27-19/h1-15H,(H,23,26)/b22-14-
InChIKeyZHDZPDNLVLNPMS-HMAPJEAMSA-N
MW356.39 g/mol
LogP3.90
Rot. Bonds5

About N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide

N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide (PubChem CID 9023528) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
PubChem CID9023528
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC NameN-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccco1)c1ccccc1
InChIInChI=1S/C21H16N4O2/c26-21(16-8-3-1-4-9-16)23-22-14-17-15-25(18-10-5-2-6-11-18)24-20(17)19-12-7-13-27-19/h1-15H,(H,23,26)/b22-14-
InChIKeyZHDZPDNLVLNPMS-HMAPJEAMSA-N
XLogP3.90
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
CID 5455968
N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(2-methoxyanilino)acetamide
CID 8974950
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
CID 6179485
N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide
CID 6906212
N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
CID 1285189
N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 9073073
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-hydroxybenzamide
CID 1051210
4-chloro-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 2222769
4-fluoro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 6180975
4-chloro-N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 6872953
N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide
CID 6899097
4-amino-N-[(Z)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9071102

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide?
The IUPAC name of N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide (CID 9023528) is N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide.
What is the SMILES notation for N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide?
The canonical SMILES for N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide is O=C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccco1)c1ccccc1.
What is the InChIKey of N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide?
The InChIKey is ZHDZPDNLVLNPMS-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H16N4O2/c26-21(16-8-3-1-4-9-16)23-22-14-17-15-25(18-10-5-2-6-11-18)24-20(17)19-12-7-13-27-19/h1-15H,(H,23,26)/b22-14-.
What are the key properties of N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide?
N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide has a molecular weight of 356.39 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide is sourced from PubChem (CID 9023528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).