N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

C18H18N4O4 — CID 6862386

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)o3)[nH]n2)cc1OC
InChIInChI=1S/C18H18N4O4/c1-11-4-6-15(26-11)13-9-14(21-20-13)18(23)22-19-10-12-5-7-16(24-2)17(8-12)25-3/h4-10H,1-3H3,(H,20,21)(H,22,23)/b19-10+
InChIKeyKOJVNIQKLFBYIU-VXLYETTFSA-N
MW354.37 g/mol
LogP2.76
Rot. Bonds6

About N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 6862386) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID6862386
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)o3)[nH]n2)cc1OC
InChIInChI=1S/C18H18N4O4/c1-11-4-6-15(26-11)13-9-14(21-20-13)18(23)22-19-10-12-5-7-16(24-2)17(8-12)25-3/h4-10H,1-3H3,(H,20,21)(H,22,23)/b19-10+
InChIKeyKOJVNIQKLFBYIU-VXLYETTFSA-N
XLogP2.76
TPSA101.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.76
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-[(E)-(2-methoxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 6862389
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 51057015
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 6068774
5-(5-methylfuran-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 5402591
5-cyclopropyl-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 6867422
5-(5-methylfuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 5395277
N-[1-(4-methoxyphenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 3622195
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 2047569
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112828951
N-[(Z)-(4-methoxyphenyl)methylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 5392665
1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5355980
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
CID 135521451

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (CID 6862386) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)o3)[nH]n2)cc1OC.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is KOJVNIQKLFBYIU-VXLYETTFSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-11-4-6-15(26-11)13-9-14(21-20-13)18(23)22-19-10-12-5-7-16(24-2)17(8-12)25-3/h4-10H,1-3H3,(H,20,21)(H,22,23)/b19-10+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6862386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).