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

C18H14N4O2S — CID 91630659

IUPAC5-(furan-2-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1cncc(-c2cccs2)c1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C18H14N4O2S/c23-18(15-8-14(21-22-15)16-3-1-5-24-16)20-10-12-7-13(11-19-9-12)17-4-2-6-25-17/h1-9,11H,10H2,(H,20,23)(H,21,22)
InChIKeyOLFSATIDDYDNHG-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.72
Rot. Bonds5

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

5-(furan-2-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 91630659) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID91630659
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name5-(furan-2-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1cncc(-c2cccs2)c1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C18H14N4O2S/c23-18(15-8-14(21-22-15)16-3-1-5-24-16)20-10-12-7-13(11-19-9-12)17-4-2-6-25-17/h1-9,11H,10H2,(H,20,23)(H,21,22)
InChIKeyOLFSATIDDYDNHG-UHFFFAOYSA-N
XLogP3.72
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide (CID 91630659) is 5-(furan-2-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide is O=C(NCc1cncc(-c2cccs2)c1)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is OLFSATIDDYDNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c23-18(15-8-14(21-22-15)16-3-1-5-24-16)20-10-12-7-13(11-19-9-12)17-4-2-6-25-17/h1-9,11H,10H2,(H,20,23)(H,21,22).
What are the key properties of 5-(furan-2-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91630659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).