N'-[(Z)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide

C20H21N5O3 — CID 9352922

IUPACN'-[(Z)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1/C=N\NC(=O)C(=O)NCc1ccco1
InChIInChI=1S/C20H21N5O3/c1-14-18(15(2)25(24-14)13-16-7-4-3-5-8-16)12-22-23-20(27)19(26)21-11-17-9-6-10-28-17/h3-10,12H,11,13H2,1-2H3,(H,21,26)(H,23,27)/b22-12-
InChIKeyRRZAMZIFHHNMAB-UUYOSTAYSA-N
MW379.42 g/mol
LogP1.91
Rot. Bonds6

About N'-[(Z)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide

N'-[(Z)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide (PubChem CID 9352922) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N'-[(Z)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
PubChem CID9352922
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN'-[(Z)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1/C=N\NC(=O)C(=O)NCc1ccco1
InChIInChI=1S/C20H21N5O3/c1-14-18(15(2)25(24-14)13-16-7-4-3-5-8-16)12-22-23-20(27)19(26)21-11-17-9-6-10-28-17/h3-10,12H,11,13H2,1-2H3,(H,21,26)(H,23,27)/b22-12-
InChIKeyRRZAMZIFHHNMAB-UUYOSTAYSA-N
XLogP1.91
TPSA101.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[(Z)-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 27686221
N-(furan-2-ylmethyl)-N'-[(5-methylfuran-2-yl)methylideneamino]oxamide
CID 5237010
N-[(Z)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-3-chlorobenzamide
CID 9174864
N-[(Z)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-4-bromo-1H-pyrrole-2-carboxamide
CID 8983018
N'-[(Z)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 9179636
N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6910519
N'-[(Z)-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylideneamino]oxamide
CID 9120759
N-[(Z)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9176900
[(E)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]urea
CID 6909076
ethyl N-[(E)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]carbamate
CID 6909082
N'-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 135575952
N'-[(E)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 18206227

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide?
The IUPAC name of N'-[(Z)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide (CID 9352922) is N'-[(Z)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(Z)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(Z)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide is Cc1nn(Cc2ccccc2)c(C)c1/C=N\NC(=O)C(=O)NCc1ccco1.
What is the InChIKey of N'-[(Z)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide?
The InChIKey is RRZAMZIFHHNMAB-UUYOSTAYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-14-18(15(2)25(24-14)13-16-7-4-3-5-8-16)12-22-23-20(27)19(26)21-11-17-9-6-10-28-17/h3-10,12H,11,13H2,1-2H3,(H,21,26)(H,23,27)/b22-12-.
What are the key properties of N'-[(Z)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide?
N'-[(Z)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide has a molecular weight of 379.42 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 9352922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).