2-anilino-N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide

C26H21N5O2 — CID 6310712

IUPAC2-anilino-N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide
SMILESO=C(CNc1ccccc1)N/N=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1
InChIInChI=1S/C26H21N5O2/c32-25(17-27-21-10-3-1-4-11-21)29-28-16-20-18-31(22-12-5-2-6-13-22)30-26(20)24-15-19-9-7-8-14-23(19)33-24/h1-16,18,27H,17H2,(H,29,32)/b28-16-
InChIKeySCBPNZVBETVYIC-NTFVMDSBSA-N
MW435.49 g/mol
LogP4.85
Rot. Bonds7

About 2-anilino-N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide

2-anilino-N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide (PubChem CID 6310712) has the molecular formula C26H21N5O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is 2-anilino-N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide
PubChem CID6310712
Molecular FormulaC26H21N5O2
Molecular Weight435.49 g/mol
Exact Mass435.17
IUPAC Name2-anilino-N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide
SMILESO=C(CNc1ccccc1)N/N=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1
InChIInChI=1S/C26H21N5O2/c32-25(17-27-21-10-3-1-4-11-21)29-28-16-20-18-31(22-12-5-2-6-13-22)30-26(20)24-15-19-9-7-8-14-23(19)33-24/h1-16,18,27H,17H2,(H,29,32)/b28-16-
InChIKeySCBPNZVBETVYIC-NTFVMDSBSA-N
XLogP4.85
TPSA84.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 126395714
4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzoate
CID 2360662
(Z)-1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 9014474
5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]naphthalen-1-ol
CID 23847292
2-chloro-N-[(E)-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 75460469
1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine
CID 2371856
6-[(2E)-2-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 55604481
N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(2-methoxyanilino)acetamide
CID 8974950
2-chloro-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide
CID 6899907
(E)-1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine
CID 6902900
N-(2-acetamidoethyl)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 76857055
2,5-dimethyl-N-[(E)-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylideneamino]furan-3-carboxamide
CID 6903034

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide?
The IUPAC name of 2-anilino-N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide (CID 6310712) is 2-anilino-N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-anilino-N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide?
The canonical SMILES for 2-anilino-N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide is O=C(CNc1ccccc1)N/N=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1.
What is the InChIKey of 2-anilino-N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide?
The InChIKey is SCBPNZVBETVYIC-NTFVMDSBSA-N. The full InChI is InChI=1S/C26H21N5O2/c32-25(17-27-21-10-3-1-4-11-21)29-28-16-20-18-31(22-12-5-2-6-13-22)30-26(20)24-15-19-9-7-8-14-23(19)33-24/h1-16,18,27H,17H2,(H,29,32)/b28-16-.
What are the key properties of 2-anilino-N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide?
2-anilino-N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide has a molecular weight of 435.49 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide is sourced from PubChem (CID 6310712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).