5-(furan-2-yl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-3-carboxamide

C18H16N4O3 — CID 6862097

IUPAC5-(furan-2-yl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C18H16N4O3/c1-24-16-8-3-2-6-13(16)7-4-10-19-22-18(23)15-12-14(20-21-15)17-9-5-11-25-17/h2-12H,1H3,(H,20,21)(H,22,23)/b7-4+,19-10+
InChIKeyJHBLCZRYGJRHFA-XLWYYFMFSA-N
MW336.35 g/mol
LogP3.11
Rot. Bonds6

About 5-(furan-2-yl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-3-carboxamide (PubChem CID 6862097) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
PubChem CID6862097
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name5-(furan-2-yl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C18H16N4O3/c1-24-16-8-3-2-6-13(16)7-4-10-19-22-18(23)15-12-14(20-21-15)17-9-5-11-25-17/h2-12H,1H3,(H,20,21)(H,22,23)/b7-4+,19-10+
InChIKeyJHBLCZRYGJRHFA-XLWYYFMFSA-N
XLogP3.11
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.11
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

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
3-(4-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 776488
5-(2-Furyl)-3-methyl-1H-pyrazole
CID 700124
3-benzo[b]furan-2-yl-1H-pyrazole
CID 2805300
2-[5-(2-Furyl)-1H-pyrazol-3-yl]phenol
CID 614686
5-(1H-pyrazol-5-yl)furan-2-carbaldehyde
CID 17750888
5-(4-Isobutoxy-phenyl)-2H-pyrazole-3-carboxylic acid hydrazide
CID 946051

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-3-carboxamide (CID 6862097) is 5-(furan-2-yl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-3-carboxamide is COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-3-carboxamide?
The InChIKey is JHBLCZRYGJRHFA-XLWYYFMFSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-24-16-8-3-2-6-13(16)7-4-10-19-22-18(23)15-12-14(20-21-15)17-9-5-11-25-17/h2-12H,1H3,(H,20,21)(H,22,23)/b7-4+,19-10+.
What are the key properties of 5-(furan-2-yl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-3-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6862097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).