3-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide

C22H19N3O2 — CID 43045643

IUPAC3-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide
SMILESO=C(NCCc1ccc(-n2cccn2)cc1)c1occc1-c1ccccc1
InChIInChI=1S/C22H19N3O2/c26-22(21-20(12-16-27-21)18-5-2-1-3-6-18)23-14-11-17-7-9-19(10-8-17)25-15-4-13-24-25/h1-10,12-13,15-16H,11,14H2,(H,23,26)
InChIKeyWVUKMSDSIMUTQV-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.10
Rot. Bonds6

About 3-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide

3-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide (PubChem CID 43045643) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide
PubChem CID43045643
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name3-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide
SMILESO=C(NCCc1ccc(-n2cccn2)cc1)c1occc1-c1ccccc1
InChIInChI=1S/C22H19N3O2/c26-22(21-20(12-16-27-21)18-5-2-1-3-6-18)23-14-11-17-7-9-19(10-8-17)25-15-4-13-24-25/h1-10,12-13,15-16H,11,14H2,(H,23,26)
InChIKeyWVUKMSDSIMUTQV-UHFFFAOYSA-N
XLogP4.10
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37392558
3-(furan-2-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 30102772
3,6-dichloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide
CID 41413238
N-(3-methylbutyl)-3-phenylfuran-2-carboxamide
CID 35072143
N-[2-(4-pyrazol-1-ylphenyl)ethyl]quinoline-2-carboxamide
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trans-(1S,2S)-2-[2-(4-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125153839
2-(2-chlorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525810
5-chloro-3-methyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 41413162
5-ethyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 46577228
4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081638
2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 119699721
2,3-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412698

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 3-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide (CID 43045643) is 3-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 3-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 3-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide is O=C(NCCc1ccc(-n2cccn2)cc1)c1occc1-c1ccccc1.
What is the InChIKey of 3-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide?
The InChIKey is WVUKMSDSIMUTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c26-22(21-20(12-16-27-21)18-5-2-1-3-6-18)23-14-11-17-7-9-19(10-8-17)25-15-4-13-24-25/h1-10,12-13,15-16H,11,14H2,(H,23,26).
What are the key properties of 3-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide?
3-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 43045643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).