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

C17H17FN4OS — CID 134137855

IUPACN-(4-fluorophenyl)-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCC(C)Cc1nn(-c2nccs2)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H17FN4OS/c1-11(2)9-15-14(10-22(21-15)17-19-7-8-24-17)16(23)20-13-5-3-12(18)4-6-13/h3-8,10-11H,9H2,1-2H3,(H,20,23)
InChIKeyQGHKZHWJOMONDF-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.92
Rot. Bonds5

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

N-(4-fluorophenyl)-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 134137855) has the molecular formula C17H17FN4OS and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
PubChem CID134137855
Molecular FormulaC17H17FN4OS
Molecular Weight344.42 g/mol
Exact Mass344.11
IUPAC NameN-(4-fluorophenyl)-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCC(C)Cc1nn(-c2nccs2)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H17FN4OS/c1-11(2)9-15-14(10-22(21-15)17-19-7-8-24-17)16(23)20-13-5-3-12(18)4-6-13/h3-8,10-11H,9H2,1-2H3,(H,20,23)
InChIKeyQGHKZHWJOMONDF-UHFFFAOYSA-N
XLogP3.92
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (CID 134137855) is N-(4-fluorophenyl)-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is CC(C)Cc1nn(-c2nccs2)cc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is QGHKZHWJOMONDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4OS/c1-11(2)9-15-14(10-22(21-15)17-19-7-8-24-17)16(23)20-13-5-3-12(18)4-6-13/h3-8,10-11H,9H2,1-2H3,(H,20,23).
What are the key properties of N-(4-fluorophenyl)-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
N-(4-fluorophenyl)-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 134137855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).