5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide

C15H13FN4OS — CID 75378483

IUPAC5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCN(Cc1cscn1)C(=O)c1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C15H13FN4OS/c1-20(7-10-8-22-9-17-10)15(21)12-6-18-19-14(12)11-4-2-3-5-13(11)16/h2-6,8-9H,7H2,1H3,(H,18,19)
InChIKeyOETWNRBJHPEONK-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.94
Rot. Bonds4

About 5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide

5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 75378483) has the molecular formula C15H13FN4OS and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID75378483
Molecular FormulaC15H13FN4OS
Molecular Weight316.36 g/mol
Exact Mass316.08
IUPAC Name5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCN(Cc1cscn1)C(=O)c1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C15H13FN4OS/c1-20(7-10-8-22-9-17-10)15(21)12-6-18-19-14(12)11-4-2-3-5-13(11)16/h2-6,8-9H,7H2,1H3,(H,18,19)
InChIKeyOETWNRBJHPEONK-UHFFFAOYSA-N
XLogP2.94
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-hydroxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 103829866
1-(2-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
CID 62052817
N-(2-amino-2-methylpropyl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 119628857
2-[2-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]phenyl]sulfanylpropanoic acid
CID 119182649
3,4,5-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63189346
2-hydroxy-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 54990504
2-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)furan-3-carboxamide
CID 106853803
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 86855483
4-fluoro-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55163854
5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
CID 119432488
2,5-difluoro-N-methyl-3-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 107121992
N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63048529

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide (CID 75378483) is 5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide is CN(Cc1cscn1)C(=O)c1cn[nH]c1-c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is OETWNRBJHPEONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4OS/c1-20(7-10-8-22-9-17-10)15(21)12-6-18-19-14(12)11-4-2-3-5-13(11)16/h2-6,8-9H,7H2,1H3,(H,18,19).
What are the key properties of 5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide?
5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 75378483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).