2-methyl-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]furan-3-carboxamide

C17H16N4O3 — CID 135401424

IUPAC2-methyl-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]furan-3-carboxamide
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1/C=N/NC(=O)c1ccoc1C
InChIInChI=1S/C17H16N4O3/c1-11-15(10-18-19-16(22)14-8-9-24-12(14)2)17(23)21(20-11)13-6-4-3-5-7-13/h3-10,20H,1-2H3,(H,19,22)/b18-10+
InChIKeyKECHVPLGJKSTDK-VCHYOVAHSA-N
MW324.34 g/mol
LogP2.14
Rot. Bonds4

About 2-methyl-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]furan-3-carboxamide

2-methyl-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]furan-3-carboxamide (PubChem CID 135401424) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-methyl-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]furan-3-carboxamide
PubChem CID135401424
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name2-methyl-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]furan-3-carboxamide
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1/C=N/NC(=O)c1ccoc1C
InChIInChI=1S/C17H16N4O3/c1-11-15(10-18-19-16(22)14-8-9-24-12(14)2)17(23)21(20-11)13-6-4-3-5-7-13/h3-10,20H,1-2H3,(H,19,22)/b18-10+
InChIKeyKECHVPLGJKSTDK-VCHYOVAHSA-N
XLogP2.14
TPSA92.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
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

Fenfuram
CID 90590
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide
CID 5342258
N'-{3-[4-(dimethylamino)phenyl]-2-propenylidene}-2-methyl-3-furohydrazide
CID 9607499
N-{3-[N-(2-methyl-3-furoyl)ethanehydrazonoyl]phenyl}cyclopropanecarboxamide
CID 6015101
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide
CID 1245155
4-[2-(2-furylmethylene)hydrazino]-4-oxo-N-phenylbutanamide
CID 6871030
4-(2-(2-Furylmethylene)hydrazino)-N-(3-methylphenyl)-4-oxobutanamide
CID 9643503
(Z)-4-(((furan-2-ylmethyl)amino)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
CID 887066
2-methyl-N'-{1-[4-(4-morpholinyl)phenyl]ethylidene}-3-furohydrazide
CID 6023915
N-{4-[N-(2-methyl-3-furoyl)ethanehydrazonoyl]phenyl}cyclopentanecarboxamide
CID 6024095
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-2-methylfuran-3-carbohydrazide
CID 6868898
2,5-dimethyl-N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]furan-3-carboxamide
CID 5793393

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]furan-3-carboxamide (CID 135401424) is 2-methyl-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]furan-3-carboxamide is Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/NC(=O)c1ccoc1C.
What is the InChIKey of 2-methyl-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]furan-3-carboxamide?
The InChIKey is KECHVPLGJKSTDK-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-11-15(10-18-19-16(22)14-8-9-24-12(14)2)17(23)21(20-11)13-6-4-3-5-7-13/h3-10,20H,1-2H3,(H,19,22)/b18-10+.
What are the key properties of 2-methyl-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]furan-3-carboxamide?
2-methyl-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]furan-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]furan-3-carboxamide is sourced from PubChem (CID 135401424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).