N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

C19H20N4O2 — CID 5412129

IUPACN-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESCC(C)c1ccc(/C=N\NC(=O)c2ccc(Cn3cccn3)o2)cc1
InChIInChI=1S/C19H20N4O2/c1-14(2)16-6-4-15(5-7-16)12-20-22-19(24)18-9-8-17(25-18)13-23-11-3-10-21-23/h3-12,14H,13H2,1-2H3,(H,22,24)/b20-12-
InChIKeyJTBKKYKPCFKEEJ-NDENLUEZSA-N
MW336.40 g/mol
LogP3.41
Rot. Bonds6

About N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (PubChem CID 5412129) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
PubChem CID5412129
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESCC(C)c1ccc(/C=N\NC(=O)c2ccc(Cn3cccn3)o2)cc1
InChIInChI=1S/C19H20N4O2/c1-14(2)16-6-4-15(5-7-16)12-20-22-19(24)18-9-8-17(25-18)13-23-11-3-10-21-23/h3-12,14H,13H2,1-2H3,(H,22,24)/b20-12-
InChIKeyJTBKKYKPCFKEEJ-NDENLUEZSA-N
XLogP3.41
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.41
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'}

Analyze N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1H-pyrazol-1-ylmethyl)-2-furohydrazide
CID 3259634
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-4-ylmethylideneamino]furan-2-carboxamide
CID 6874517
N'-[(2-hydroxy-1-naphthyl)methylene]-5-(1H-pyrazol-1-ylmethyl)-2-furohydrazide
CID 135401433
N-(3-{N-[5-(1H-pyrazol-1-ylmethyl)-2-furoyl]ethanehydrazonoyl}phenyl)isonicotinamide
CID 5431606
5-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 20876955
N-[1-[(4-fluorophenyl)methyl]-3-pyrazolyl]-5-methyl-2-furancarboxamide
CID 841204
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3-ethylphenyl)-2-furamide
CID 1224519
5-[(4-nitropyrazol-1-yl)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 4319123
5-({4-nitro-1H-pyrazol-1-yl}methyl)-N'-(4-propoxybenzylidene)-2-furohydrazide
CID 6873375
5-[(4-bromopyrazol-1-yl)methyl]-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]furan-2-carboxamide
CID 6873479
5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N'-[4-(dimethylamino)benzylidene]-2-furohydrazide
CID 6874059
N-[(E)-(4-ethoxyphenyl)methylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 6874448

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (CID 5412129) is N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is CC(C)c1ccc(/C=N\NC(=O)c2ccc(Cn3cccn3)o2)cc1.
What is the InChIKey of N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The InChIKey is JTBKKYKPCFKEEJ-NDENLUEZSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14(2)16-6-4-15(5-7-16)12-20-22-19(24)18-9-8-17(25-18)13-23-11-3-10-21-23/h3-12,14H,13H2,1-2H3,(H,22,24)/b20-12-.
What are the key properties of N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 5412129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).