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

C17H16N4O2 — CID 6862107

IUPACN-[(E)-(4-ethylphenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCCc1ccc(/C=N/NC(=O)c2cc(-c3ccco3)[nH]n2)cc1
InChIInChI=1S/C17H16N4O2/c1-2-12-5-7-13(8-6-12)11-18-21-17(22)15-10-14(19-20-15)16-4-3-9-23-16/h3-11H,2H2,1H3,(H,19,20)(H,21,22)/b18-11+
InChIKeyBCNYZEBTQNDYEU-WOJGMQOQSA-N
MW308.34 g/mol
LogP3.00
Rot. Bonds5

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

N-[(E)-(4-ethylphenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 6862107) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(E)-(4-ethylphenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-ethylphenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID6862107
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[(E)-(4-ethylphenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCCc1ccc(/C=N/NC(=O)c2cc(-c3ccco3)[nH]n2)cc1
InChIInChI=1S/C17H16N4O2/c1-2-12-5-7-13(8-6-12)11-18-21-17(22)15-10-14(19-20-15)16-4-3-9-23-16/h3-11H,2H2,1H3,(H,19,20)(H,21,22)/b18-11+
InChIKeyBCNYZEBTQNDYEU-WOJGMQOQSA-N
XLogP3.00
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.00
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-(5-methylfuran-2-yl)-1H-pyrazole-5-carbohydrazide
CID 727435
3-(furan-2-yl)-N'-[(4-methylcyclohexyl)carbonyl]-1H-pyrazole-5-carbohydrazide
CID 3263209
3-(4-chlorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 5343127
5-(5-methylfuran-2-yl)-N-[(E)-(4-methylphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 6146666
3-(4-ethylphenyl)-N'-[(E)-furan-2-ylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6888582
N'-[(E)-(2-hydroxyphenyl)methylidene]-3-(5-methylfuran-2-yl)-1H-pyrazole-5-carbohydrazide
CID 135616972
5-(2-Furyl)-3-methyl-1H-pyrazole
CID 700124
2-[5-(2-Furyl)-1H-pyrazol-3-yl]phenol
CID 614686
5-(1H-pyrazol-5-yl)furan-2-carbaldehyde
CID 17750888
3-(2-furyl)-4H-pyrazol-4-one N-(3-methylphenyl)hydrazone
CID 3301257
5-tert-Butyl-2H-pyrazole-3-carboxylic acid furan-2-ylmethylene-hydrazide
CID 5332549
N'-(2-bromo-3-phenyl-2-propen-1-ylidene)-3-(2-furyl)-1H-pyrazole-5-carbohydrazide
CID 5345696

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-ethylphenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-(4-ethylphenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 6862107) is N-[(E)-(4-ethylphenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(4-ethylphenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-(4-ethylphenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is CCc1ccc(/C=N/NC(=O)c2cc(-c3ccco3)[nH]n2)cc1.
What is the InChIKey of N-[(E)-(4-ethylphenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is BCNYZEBTQNDYEU-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-2-12-5-7-13(8-6-12)11-18-21-17(22)15-10-14(19-20-15)16-4-3-9-23-16/h3-11H,2H2,1H3,(H,19,20)(H,21,22)/b18-11+.
What are the key properties of N-[(E)-(4-ethylphenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-[(E)-(4-ethylphenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-ethylphenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6862107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).