5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-4-carboxamide

C17H16FN3O2S — CID 111452211

IUPAC5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-4-carboxamide
SMILESCC(O)(CNC(=O)c1cn[nH]c1-c1ccc(F)cc1)c1ccsc1
InChIInChI=1S/C17H16FN3O2S/c1-17(23,12-6-7-24-9-12)10-19-16(22)14-8-20-21-15(14)11-2-4-13(18)5-3-11/h2-9,23H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyMCKPUUBOXAVFMW-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.91
Rot. Bonds5

About 5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-4-carboxamide

5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-4-carboxamide (PubChem CID 111452211) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-4-carboxamide
PubChem CID111452211
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-4-carboxamide
SMILESCC(O)(CNC(=O)c1cn[nH]c1-c1ccc(F)cc1)c1ccsc1
InChIInChI=1S/C17H16FN3O2S/c1-17(23,12-6-7-24-9-12)10-19-16(22)14-8-20-21-15(14)11-2-4-13(18)5-3-11/h2-9,23H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyMCKPUUBOXAVFMW-UHFFFAOYSA-N
XLogP2.91
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-4-carboxamide (CID 111452211) is 5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-4-carboxamide is CC(O)(CNC(=O)c1cn[nH]c1-c1ccc(F)cc1)c1ccsc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-4-carboxamide?
The InChIKey is MCKPUUBOXAVFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-17(23,12-6-7-24-9-12)10-19-16(22)14-8-20-21-15(14)11-2-4-13(18)5-3-11/h2-9,23H,10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-4-carboxamide?
5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 111452211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).