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

C18H19FN4OS — CID 134133853

IUPACN-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCC(C)Cc1nn(-c2nccs2)cc1C(=O)NCc1ccccc1F
InChIInChI=1S/C18H19FN4OS/c1-12(2)9-16-14(11-23(22-16)18-20-7-8-25-18)17(24)21-10-13-5-3-4-6-15(13)19/h3-8,11-12H,9-10H2,1-2H3,(H,21,24)
InChIKeyZTIRPZZUTIPSPD-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.60
Rot. Bonds6

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

N-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 134133853) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
PubChem CID134133853
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC NameN-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCC(C)Cc1nn(-c2nccs2)cc1C(=O)NCc1ccccc1F
InChIInChI=1S/C18H19FN4OS/c1-12(2)9-16-14(11-23(22-16)18-20-7-8-25-18)17(24)21-10-13-5-3-4-6-15(13)19/h3-8,11-12H,9-10H2,1-2H3,(H,21,24)
InChIKeyZTIRPZZUTIPSPD-UHFFFAOYSA-N
XLogP3.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-cyclobutyl-5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;dihydrochloride
CID 155527522
N-[4-cyclobutyl-5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]-1-(5-fluoro-2-pyridinyl)-3-methylpyrazole-4-carboxamide;dihydrochloride
CID 155530853
N-[4-cyclobutyl-5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]-1-(5-fluoro-2-pyridinyl)-5-methylpyrazole-4-carboxamide;dihydrochloride
CID 155564707
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 661004
N-(3-hydroxypropyl)-5-methyl-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 9953357
5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-thiazol-2-yl]-1H-pyrazole-4-carboxylic acid (3-diethylamino-propyl)-amide
CID 10369377
2-(3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 25095149
2-[1-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 57919896
2-[1-[(3,5-difluorophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 57919928
2-(1-(4-fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 59481190
2-(1-(4-fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methyl-N-(thiazol-2-ylmethyl)thiazole-5-carboxamide
CID 59481233
2-(3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-2-ylmethyl)thiazole-5-carboxamide
CID 59481280

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (CID 134133853) is N-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is CC(C)Cc1nn(-c2nccs2)cc1C(=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is ZTIRPZZUTIPSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS/c1-12(2)9-16-14(11-23(22-16)18-20-7-8-25-18)17(24)21-10-13-5-3-4-6-15(13)19/h3-8,11-12H,9-10H2,1-2H3,(H,21,24).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
N-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 134133853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).