5-(furan-2-yl)-N-[(2-thiophen-3-ylphenyl)methyl]-1H-pyrazole-3-carboxamide

C19H15N3O2S — CID 71809969

IUPAC5-(furan-2-yl)-N-[(2-thiophen-3-ylphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1ccccc1-c1ccsc1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C19H15N3O2S/c23-19(17-10-16(21-22-17)18-6-3-8-24-18)20-11-13-4-1-2-5-15(13)14-7-9-25-12-14/h1-10,12H,11H2,(H,20,23)(H,21,22)
InChIKeyFEDJCFSRZHYZHV-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.33
Rot. Bonds5

About 5-(furan-2-yl)-N-[(2-thiophen-3-ylphenyl)methyl]-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-[(2-thiophen-3-ylphenyl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 71809969) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[(2-thiophen-3-ylphenyl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[(2-thiophen-3-ylphenyl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID71809969
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name5-(furan-2-yl)-N-[(2-thiophen-3-ylphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1ccccc1-c1ccsc1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C19H15N3O2S/c23-19(17-10-16(21-22-17)18-6-3-8-24-18)20-11-13-4-1-2-5-15(13)14-7-9-25-12-14/h1-10,12H,11H2,(H,20,23)(H,21,22)
InChIKeyFEDJCFSRZHYZHV-UHFFFAOYSA-N
XLogP4.33
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 49671325
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CID 49677772
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CID 6624963
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CID 45504210
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CID 49665561

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[(2-thiophen-3-ylphenyl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[(2-thiophen-3-ylphenyl)methyl]-1H-pyrazole-3-carboxamide (CID 71809969) is 5-(furan-2-yl)-N-[(2-thiophen-3-ylphenyl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[(2-thiophen-3-ylphenyl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[(2-thiophen-3-ylphenyl)methyl]-1H-pyrazole-3-carboxamide is O=C(NCc1ccccc1-c1ccsc1)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-[(2-thiophen-3-ylphenyl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is FEDJCFSRZHYZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c23-19(17-10-16(21-22-17)18-6-3-8-24-18)20-11-13-4-1-2-5-15(13)14-7-9-25-12-14/h1-10,12H,11H2,(H,20,23)(H,21,22).
What are the key properties of 5-(furan-2-yl)-N-[(2-thiophen-3-ylphenyl)methyl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[(2-thiophen-3-ylphenyl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[(2-thiophen-3-ylphenyl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71809969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).