5-(4-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1H-pyrazole-4-carboxamide

C22H19FN4OS — CID 16599700

IUPAC5-(4-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1nc(-c2ccc(CCNC(=O)c3cn[nH]c3-c3ccc(F)cc3)cc2)cs1
InChIInChI=1S/C22H19FN4OS/c1-14-26-20(13-29-14)16-4-2-15(3-5-16)10-11-24-22(28)19-12-25-27-21(19)17-6-8-18(23)9-7-17/h2-9,12-13H,10-11H2,1H3,(H,24,28)(H,25,27)
InChIKeyNPRGAVCQGKMBDI-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.62
Rot. Bonds6

About 5-(4-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1H-pyrazole-4-carboxamide

5-(4-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 16599700) has the molecular formula C22H19FN4OS and a molecular weight of 406.49 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1H-pyrazole-4-carboxamide
PubChem CID16599700
Molecular FormulaC22H19FN4OS
Molecular Weight406.49 g/mol
Exact Mass406.13
IUPAC Name5-(4-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1nc(-c2ccc(CCNC(=O)c3cn[nH]c3-c3ccc(F)cc3)cc2)cs1
InChIInChI=1S/C22H19FN4OS/c1-14-26-20(13-29-14)16-4-2-15(3-5-16)10-11-24-22(28)19-12-25-27-21(19)17-6-8-18(23)9-7-17/h2-9,12-13H,10-11H2,1H3,(H,24,28)(H,25,27)
InChIKeyNPRGAVCQGKMBDI-UHFFFAOYSA-N
XLogP4.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 16568239
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 25401259
4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568166
N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824635
4-fluoro-N-[3-methyl-1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxobutan-2-yl]benzamide
CID 55434435
2,4-dichloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 108725447
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
CID 52984164
2,3-dimethoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434413
5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 53490374
3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-nitrobenzamide
CID 16960634
4-methoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434098
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 24552868

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1H-pyrazole-4-carboxamide (CID 16599700) is 5-(4-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1H-pyrazole-4-carboxamide is Cc1nc(-c2ccc(CCNC(=O)c3cn[nH]c3-c3ccc(F)cc3)cc2)cs1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is NPRGAVCQGKMBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4OS/c1-14-26-20(13-29-14)16-4-2-15(3-5-16)10-11-24-22(28)19-12-25-27-21(19)17-6-8-18(23)9-7-17/h2-9,12-13H,10-11H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 5-(4-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1H-pyrazole-4-carboxamide?
5-(4-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 16599700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).