N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide

C17H17N3O2S — CID 86266311

IUPACN-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide
SMILESO=C(NCCn1nc(-c2ccsc2)cc1C1CC1)c1ccoc1
InChIInChI=1S/C17H17N3O2S/c21-17(13-3-7-22-10-13)18-5-6-20-16(12-1-2-12)9-15(19-20)14-4-8-23-11-14/h3-4,7-12H,1-2,5-6H2,(H,18,21)
InChIKeyWXONCQIEJNNLBT-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.51
Rot. Bonds6

About N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide

N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide (PubChem CID 86266311) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide
PubChem CID86266311
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide
SMILESO=C(NCCn1nc(-c2ccsc2)cc1C1CC1)c1ccoc1
InChIInChI=1S/C17H17N3O2S/c21-17(13-3-7-22-10-13)18-5-6-20-16(12-1-2-12)9-15(19-20)14-4-8-23-11-14/h3-4,7-12H,1-2,5-6H2,(H,18,21)
InChIKeyWXONCQIEJNNLBT-UHFFFAOYSA-N
XLogP3.51
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide?
The IUPAC name of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide (CID 86266311) is N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide is O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)c1ccoc1.
What is the InChIKey of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide?
The InChIKey is WXONCQIEJNNLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c21-17(13-3-7-22-10-13)18-5-6-20-16(12-1-2-12)9-15(19-20)14-4-8-23-11-14/h3-4,7-12H,1-2,5-6H2,(H,18,21).
What are the key properties of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide?
N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 86266311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).