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

C18H18N4O2 — CID 6380303

IUPAC3-(4-ethylphenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccco3)[nH]n2)cc1
InChIInChI=1S/C18H18N4O2/c1-3-13-6-8-14(9-7-13)15-11-16(21-20-15)18(23)22-19-12(2)17-5-4-10-24-17/h4-11H,3H2,1-2H3,(H,20,21)(H,22,23)/b19-12-
InChIKeyUYCBSHYTXQGODF-UNOMPAQXSA-N
MW322.37 g/mol
LogP3.39
Rot. Bonds5

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

3-(4-ethylphenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 6380303) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID6380303
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-(4-ethylphenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccco3)[nH]n2)cc1
InChIInChI=1S/C18H18N4O2/c1-3-13-6-8-14(9-7-13)15-11-16(21-20-15)18(23)22-19-12(2)17-5-4-10-24-17/h4-11H,3H2,1-2H3,(H,20,21)(H,22,23)/b19-12-
InChIKeyUYCBSHYTXQGODF-UNOMPAQXSA-N
XLogP3.39
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-(4-ethylphenyl)-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6044027
3-(3-ethoxyphenyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 5399799
N-[1-(furan-2-yl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 761751
3-(4-ethylphenyl)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 136808343
3-(4-ethylphenyl)-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 686598
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5399764
N-[(Z)-benzylideneamino]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide
CID 5402992
3-(4-fluorophenyl)-N-[(Z)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide
CID 6143430
N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5396908
3-(4-ethylphenyl)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
CID 6383435
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 6116965

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-ethylphenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide (CID 6380303) is 3-(4-ethylphenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide is CCc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccco3)[nH]n2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is UYCBSHYTXQGODF-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-3-13-6-8-14(9-7-13)15-11-16(21-20-15)18(23)22-19-12(2)17-5-4-10-24-17/h4-11H,3H2,1-2H3,(H,20,21)(H,22,23)/b19-12-.
What are the key properties of 3-(4-ethylphenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide?
3-(4-ethylphenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6380303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).