N-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide

C18H18N4O3 — CID 4862901

IUPACN-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide
SMILESCOc1cccc(/C=N/c2cnn(C)c2C(=O)NCc2ccco2)c1
InChIInChI=1S/C18H18N4O3/c1-22-17(18(23)20-11-15-7-4-8-25-15)16(12-21-22)19-10-13-5-3-6-14(9-13)24-2/h3-10,12H,11H2,1-2H3,(H,20,23)/b19-10+
InChIKeyPLHGDSKCLIELPP-VXLYETTFSA-N
MW338.37 g/mol
LogP2.70
Rot. Bonds6

About N-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide

N-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide (PubChem CID 4862901) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide
PubChem CID4862901
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide
SMILESCOc1cccc(/C=N/c2cnn(C)c2C(=O)NCc2ccco2)c1
InChIInChI=1S/C18H18N4O3/c1-22-17(18(23)20-11-15-7-4-8-25-15)16(12-21-22)19-10-13-5-3-6-14(9-13)24-2/h3-10,12H,11H2,1-2H3,(H,20,23)/b19-10+
InChIKeyPLHGDSKCLIELPP-VXLYETTFSA-N
XLogP2.70
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-1-methyl-4-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide
CID 4862771
5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623698
methyl 4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]benzoate
CID 19398212
N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide
CID 42810289
N-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391860
N-(furan-2-ylmethyl)-4-[(4-methoxy-3-nitrobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 19398087
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)propanamide
CID 19203901
N-(furan-2-ylmethyl)-2,4-dimethoxybenzamide
CID 3118683
N-(furan-2-ylmethyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500932
N-(furan-2-ylmethyl)-8-methoxy-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 162671731
4-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 98222387
1-(3-methoxyphenyl)-N-[2-[(3-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 932000

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide (CID 4862901) is N-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide is COc1cccc(/C=N/c2cnn(C)c2C(=O)NCc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide?
The InChIKey is PLHGDSKCLIELPP-VXLYETTFSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-22-17(18(23)20-11-15-7-4-8-25-15)16(12-21-22)19-10-13-5-3-6-14(9-13)24-2/h3-10,12H,11H2,1-2H3,(H,20,23)/b19-10+.
What are the key properties of N-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide?
N-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 4862901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).