N-(furan-2-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide

C19H15N3O2S — CID 2679000

IUPACN-(furan-2-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cc(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C19H15N3O2S/c23-19(20-13-15-8-4-10-24-15)17-12-16(18-9-5-11-25-18)21-22(17)14-6-2-1-3-7-14/h1-12H,13H2,(H,20,23)
InChIKeyBFHNXJOPQXZEKI-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.12
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide

N-(furan-2-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 2679000) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID2679000
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC NameN-(furan-2-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cc(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C19H15N3O2S/c23-19(20-13-15-8-4-10-24-15)17-12-16(18-9-5-11-25-18)21-22(17)14-6-2-1-3-7-14/h1-12H,13H2,(H,20,23)
InChIKeyBFHNXJOPQXZEKI-UHFFFAOYSA-N
XLogP4.12
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide (CID 2679000) is N-(furan-2-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide is O=C(NCc1ccco1)c1cc(-c2cccs2)nn1-c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is BFHNXJOPQXZEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c23-19(20-13-15-8-4-10-24-15)17-12-16(18-9-5-11-25-18)21-22(17)14-6-2-1-3-7-14/h1-12H,13H2,(H,20,23).
What are the key properties of N-(furan-2-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
N-(furan-2-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 2679000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).