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

C26H19FN4OS — CID 162644719

IUPACN-(4-fluorophenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
SMILESCc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1cc(C(=O)Nc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C26H19FN4OS/c1-16-24(22-15-23(31-30-22)25(32)29-21-13-11-20(27)12-14-21)33-26(28-16)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,29,32)(H,30,31)
InChIKeyVSFAWODPCFITAU-UHFFFAOYSA-N
MW454.53 g/mol
LogP6.57
Rot. Bonds5

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

N-(4-fluorophenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide (PubChem CID 162644719) has the molecular formula C26H19FN4OS and a molecular weight of 454.53 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
PubChem CID162644719
Molecular FormulaC26H19FN4OS
Molecular Weight454.53 g/mol
Exact Mass454.13
IUPAC NameN-(4-fluorophenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
SMILESCc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1cc(C(=O)Nc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C26H19FN4OS/c1-16-24(22-15-23(31-30-22)25(32)29-21-13-11-20(27)12-14-21)33-26(28-16)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,29,32)(H,30,31)
InChIKeyVSFAWODPCFITAU-UHFFFAOYSA-N
XLogP6.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide (CID 162644719) is N-(4-fluorophenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide is Cc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1cc(C(=O)Nc2ccc(F)cc2)n[nH]1.
What is the InChIKey of N-(4-fluorophenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is VSFAWODPCFITAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4OS/c1-16-24(22-15-23(31-30-22)25(32)29-21-13-11-20(27)12-14-21)33-26(28-16)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,29,32)(H,30,31).
What are the key properties of N-(4-fluorophenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide?
N-(4-fluorophenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 6.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 162644719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).