N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

C18H18N4O3 — CID 6106656

IUPACN-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCCOc1ccc(/C(C)=N\NC(=O)c2cc(-c3ccco3)[nH]n2)cc1
InChIInChI=1S/C18H18N4O3/c1-3-24-14-8-6-13(7-9-14)12(2)19-22-18(23)16-11-15(20-21-16)17-5-4-10-25-17/h4-11H,3H2,1-2H3,(H,20,21)(H,22,23)/b19-12-
InChIKeyAHWCPIIKQFGMGP-UNOMPAQXSA-N
MW338.37 g/mol
LogP3.22
Rot. Bonds6

About N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 6106656) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID6106656
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCCOc1ccc(/C(C)=N\NC(=O)c2cc(-c3ccco3)[nH]n2)cc1
InChIInChI=1S/C18H18N4O3/c1-3-24-14-8-6-13(7-9-14)12(2)19-22-18(23)16-11-15(20-21-16)17-5-4-10-25-17/h4-11H,3H2,1-2H3,(H,20,21)(H,22,23)/b19-12-
InChIKeyAHWCPIIKQFGMGP-UNOMPAQXSA-N
XLogP3.22
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.22
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

5-(furan-2-yl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-3-carboxamide
CID 5395130
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6092910
5-(furan-2-yl)-N-[1-(3-nitrophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
CID 4224828
5-(furan-2-yl)-N-(1-naphthalen-1-ylethylideneamino)-1H-pyrazole-3-carboxamide
CID 3669463
N-[1-(4-methoxyphenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 3622195
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 5395124
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide
CID 9461201
3-(4-ethoxyphenyl)-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 4102387
3-(4-ethoxyphenyl)-N-(1-phenylethylideneamino)-1H-pyrazole-5-carboxamide
CID 687657
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 6077693

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 6106656) is N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is CCOc1ccc(/C(C)=N\NC(=O)c2cc(-c3ccco3)[nH]n2)cc1.
What is the InChIKey of N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is AHWCPIIKQFGMGP-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-3-24-14-8-6-13(7-9-14)12(2)19-22-18(23)16-11-15(20-21-16)17-5-4-10-25-17/h4-11H,3H2,1-2H3,(H,20,21)(H,22,23)/b19-12-.
What are the key properties of N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6106656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).