5-(5-methylfuran-2-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide

C19H18N4O2 — CID 6862388

IUPAC5-(5-methylfuran-2-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
SMILESCC(/C=N/NC(=O)c1cc(-c2ccc(C)o2)[nH]n1)=C\c1ccccc1
InChIInChI=1S/C19H18N4O2/c1-13(10-15-6-4-3-5-7-15)12-20-23-19(24)17-11-16(21-22-17)18-9-8-14(2)25-18/h3-12H,1-2H3,(H,21,22)(H,23,24)/b13-10+,20-12+
InChIKeyOOLXVJIAQXPRMR-TVXDCWTGSA-N
MW334.38 g/mol
LogP3.80
Rot. Bonds5

About 5-(5-methylfuran-2-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide

5-(5-methylfuran-2-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide (PubChem CID 6862388) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
PubChem CID6862388
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name5-(5-methylfuran-2-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
SMILESCC(/C=N/NC(=O)c1cc(-c2ccc(C)o2)[nH]n1)=C\c1ccccc1
InChIInChI=1S/C19H18N4O2/c1-13(10-15-6-4-3-5-7-15)12-20-23-19(24)17-11-16(21-22-17)18-9-8-14(2)25-18/h3-12H,1-2H3,(H,21,22)(H,23,24)/b13-10+,20-12+
InChIKeyOOLXVJIAQXPRMR-TVXDCWTGSA-N
XLogP3.80
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.80
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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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(5-methylfuran-2-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide (CID 6862388) is 5-(5-methylfuran-2-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-methylfuran-2-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide is CC(/C=N/NC(=O)c1cc(-c2ccc(C)o2)[nH]n1)=C\c1ccccc1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide?
The InChIKey is OOLXVJIAQXPRMR-TVXDCWTGSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13(10-15-6-4-3-5-7-15)12-20-23-19(24)17-11-16(21-22-17)18-9-8-14(2)25-18/h3-12H,1-2H3,(H,21,22)(H,23,24)/b13-10+,20-12+.
What are the key properties of 5-(5-methylfuran-2-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide?
5-(5-methylfuran-2-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6862388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).