5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide

C16H14FN3OS — CID 25330536

IUPAC5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cn[nH]c1-c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C16H14FN3OS/c1-10(14-3-2-8-22-14)19-16(21)13-9-18-20-15(13)11-4-6-12(17)7-5-11/h2-10H,1H3,(H,18,20)(H,19,21)/t10-/m0/s1
InChIKeyQIEYKWHPSIMUSJ-JTQLQIEISA-N
MW315.37 g/mol
LogP3.77
Rot. Bonds4

About 5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide

5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide (PubChem CID 25330536) has the molecular formula C16H14FN3OS and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide
PubChem CID25330536
Molecular FormulaC16H14FN3OS
Molecular Weight315.37 g/mol
Exact Mass315.08
IUPAC Name5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cn[nH]c1-c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C16H14FN3OS/c1-10(14-3-2-8-22-14)19-16(21)13-9-18-20-15(13)11-4-6-12(17)7-5-11/h2-10H,1H3,(H,18,20)(H,19,21)/t10-/m0/s1
InChIKeyQIEYKWHPSIMUSJ-JTQLQIEISA-N
XLogP3.77
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 24638552
5-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 24640449
5-(4-fluorophenyl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide
CID 51647857
5-(3,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 71824303
2-(4-fluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 18734935
5-[(3S)-oxolan-3-yl]-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide
CID 129472917
5-(3-fluorophenyl)-N-[(1R)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-1H-pyrazole-4-carboxamide
CID 97114717
2-methylsulfanyl-N-(1-thiophen-2-ylethyl)benzamide
CID 112766143
2-chloro-N-(1-thiophen-2-ylethyl)benzamide
CID 42907549
3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 7742328
5-bromo-2-fluoro-N-(1-thiophen-2-ylethyl)benzamide
CID 43397649
N-[2-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 25497398

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide (CID 25330536) is 5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide is C[C@H](NC(=O)c1cn[nH]c1-c1ccc(F)cc1)c1cccs1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is QIEYKWHPSIMUSJ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14FN3OS/c1-10(14-3-2-8-22-14)19-16(21)13-9-18-20-15(13)11-4-6-12(17)7-5-11/h2-10H,1H3,(H,18,20)(H,19,21)/t10-/m0/s1.
What are the key properties of 5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide?
5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 25330536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).