5-(4-fluorophenyl)-N-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-4-carboxamide

C17H11FN6OS — CID 167960338

IUPAC5-(4-fluorophenyl)-N-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1nc(-c2cccnc2)ns1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C17H11FN6OS/c18-12-5-3-10(4-6-12)14-13(9-20-23-14)16(25)22-17-21-15(24-26-17)11-2-1-7-19-8-11/h1-9H,(H,20,23)(H,21,22,24,25)
InChIKeyBHCSOERPXUZEIJ-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.38
Rot. Bonds4

About 5-(4-fluorophenyl)-N-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-4-carboxamide

5-(4-fluorophenyl)-N-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-4-carboxamide (PubChem CID 167960338) has the molecular formula C17H11FN6OS and a molecular weight of 366.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-4-carboxamide
PubChem CID167960338
Molecular FormulaC17H11FN6OS
Molecular Weight366.38 g/mol
Exact Mass366.07
IUPAC Name5-(4-fluorophenyl)-N-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1nc(-c2cccnc2)ns1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C17H11FN6OS/c18-12-5-3-10(4-6-12)14-13(9-20-23-14)16(25)22-17-21-15(24-26-17)11-2-1-7-19-8-11/h1-9H,(H,20,23)(H,21,22,24,25)
InChIKeyBHCSOERPXUZEIJ-UHFFFAOYSA-N
XLogP3.38
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyphenyl)-5-pyridin-3-yl-1H-pyrazole-4-carboxamide
CID 167900619
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 86942045
2-[(4-fluorophenyl)sulfonylamino]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 56503511
4-bromo-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 86941977
3,5-dichloro-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 146076485
5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide
CID 25330536
5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17487935
5-pyridin-3-yl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]-1H-pyrazole-4-carboxamide
CID 138035360
5-pyridin-3-yl-N-(3-pyridin-4-yloxyphenyl)-1H-pyrazole-4-carboxamide
CID 166203360
5-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-1H-pyrazole-4-carboxamide
CID 16622153
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 24597712
3-chloro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
CID 75454692

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-4-carboxamide (CID 167960338) is 5-(4-fluorophenyl)-N-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-4-carboxamide is O=C(Nc1nc(-c2cccnc2)ns1)c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is BHCSOERPXUZEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN6OS/c18-12-5-3-10(4-6-12)14-13(9-20-23-14)16(25)22-17-21-15(24-26-17)11-2-1-7-19-8-11/h1-9H,(H,20,23)(H,21,22,24,25).
What are the key properties of 5-(4-fluorophenyl)-N-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-4-carboxamide?
5-(4-fluorophenyl)-N-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 167960338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).