N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1H-pyrazole-5-carboxamide

C19H17N3O2 — CID 166629984

IUPACN-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(/C=C/c2ccccc2NC(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C19H17N3O2/c1-24-16-10-7-14(8-11-16)6-9-15-4-2-3-5-17(15)21-19(23)18-12-13-20-22-18/h2-13H,1H3,(H,20,22)(H,21,23)/b9-6+
InChIKeyWDVFTHPQUMJYCJ-RMKNXTFCSA-N
MW319.36 g/mol
LogP3.84
Rot. Bonds5

About N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1H-pyrazole-5-carboxamide

N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 166629984) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1H-pyrazole-5-carboxamide
PubChem CID166629984
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(/C=C/c2ccccc2NC(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C19H17N3O2/c1-24-16-10-7-14(8-11-16)6-9-15-4-2-3-5-17(15)21-19(23)18-12-13-20-22-18/h2-13H,1H3,(H,20,22)(H,21,23)/b9-6+
InChIKeyWDVFTHPQUMJYCJ-RMKNXTFCSA-N
XLogP3.84
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1H-pyrazole-5-carboxamide (CID 166629984) is N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1H-pyrazole-5-carboxamide is COc1ccc(/C=C/c2ccccc2NC(=O)c2ccn[nH]2)cc1.
What is the InChIKey of N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is WDVFTHPQUMJYCJ-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-24-16-10-7-14(8-11-16)6-9-15-4-2-3-5-17(15)21-19(23)18-12-13-20-22-18/h2-13H,1H3,(H,20,22)(H,21,23)/b9-6+.
What are the key properties of N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1H-pyrazole-5-carboxamide?
N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 166629984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).