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

C17H16FN3O2S — CID 111442270

IUPAC5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide
SMILESCC(O)(CNC(=O)c1cn[nH]c1-c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C17H16FN3O2S/c1-17(23,14-3-2-8-24-14)10-19-16(22)13-9-20-21-15(13)11-4-6-12(18)7-5-11/h2-9,23H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyGLOPMFLSICKTQN-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.91
Rot. Bonds5

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

5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide (PubChem CID 111442270) 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-2-ylpropyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide
PubChem CID111442270
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide
SMILESCC(O)(CNC(=O)c1cn[nH]c1-c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C17H16FN3O2S/c1-17(23,14-3-2-8-24-14)10-19-16(22)13-9-20-21-15(13)11-4-6-12(18)7-5-11/h2-9,23H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyGLOPMFLSICKTQN-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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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
CID 22574310
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 95265878
4-[[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]methyl]benzoic acid
CID 99782133
5-phenyl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 36172587
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 46592063
3-(4-fluorophenyl)-N-(2-hydroxy-2-(thiophen-2-yl)propyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 71796920
5-acetyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylthiophene-3-carboxamide
CID 74234706
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97066374
N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
CID 126790112
N-[(2R)-2-ethoxy-2-phenylethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
CID 164633474
[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 51036129
[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 51036130

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide (CID 111442270) is 5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide is CC(O)(CNC(=O)c1cn[nH]c1-c1ccc(F)cc1)c1cccs1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide?
The InChIKey is GLOPMFLSICKTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-17(23,14-3-2-8-24-14)10-19-16(22)13-9-20-21-15(13)11-4-6-12(18)7-5-11/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-2-ylpropyl)-1H-pyrazole-4-carboxamide?
5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-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-2-ylpropyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 111442270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).