5-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-3-carboxamide

C15H15N3O3S — CID 111452029

IUPAC5-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(O)(CNC(=O)c1cc(-c2ccco2)[nH]n1)c1ccsc1
InChIInChI=1S/C15H15N3O3S/c1-15(20,10-4-6-22-8-10)9-16-14(19)12-7-11(17-18-12)13-3-2-5-21-13/h2-8,20H,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyNKMXULDQFJBQFS-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.37
Rot. Bonds5

About 5-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 111452029) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID111452029
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name5-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(O)(CNC(=O)c1cc(-c2ccco2)[nH]n1)c1ccsc1
InChIInChI=1S/C15H15N3O3S/c1-15(20,10-4-6-22-8-10)9-16-14(19)12-7-11(17-18-12)13-3-2-5-21-13/h2-8,20H,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyNKMXULDQFJBQFS-UHFFFAOYSA-N
XLogP2.37
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide
CID 111452151
5-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrazole-3-carboxamide
CID 111485372
5-(furan-2-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrazole-3-carboxamide
CID 109380983
N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 96521382
N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6626158
5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 25353049
5-(furan-2-yl)-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119502872
5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide
CID 78854308
5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide
CID 25348232
5-(furan-2-yl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 35555970
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 119498062

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-3-carboxamide (CID 111452029) is 5-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-3-carboxamide is CC(O)(CNC(=O)c1cc(-c2ccco2)[nH]n1)c1ccsc1.
What is the InChIKey of 5-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is NKMXULDQFJBQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-15(20,10-4-6-22-8-10)9-16-14(19)12-7-11(17-18-12)13-3-2-5-21-13/h2-8,20H,9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 111452029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).