N-[[4-[4-(3-chloro-4-cyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide

C23H17ClFN5OS — CID 155022759

IUPACN-[[4-[4-(3-chloro-4-cyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncsc1C(=O)NCc1ccc(-n2cc(-c3ccc(C#N)c(Cl)c3)cn2)cc1F
InChIInChI=1S/C23H17ClFN5OS/c1-2-21-22(32-13-28-21)23(31)27-10-16-5-6-18(8-20(16)25)30-12-17(11-29-30)14-3-4-15(9-26)19(24)7-14/h3-8,11-13H,2,10H2,1H3,(H,27,31)
InChIKeyOAJMILSSQYHIPX-UHFFFAOYSA-N
MW465.94 g/mol
LogP5.15
Rot. Bonds6

About N-[[4-[4-(3-chloro-4-cyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide

N-[[4-[4-(3-chloro-4-cyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide (PubChem CID 155022759) has the molecular formula C23H17ClFN5OS and a molecular weight of 465.94 g/mol. Its IUPAC name is N-[[4-[4-(3-chloro-4-cyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-[4-(3-chloro-4-cyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide
PubChem CID155022759
Molecular FormulaC23H17ClFN5OS
Molecular Weight465.94 g/mol
Exact Mass465.08
IUPAC NameN-[[4-[4-(3-chloro-4-cyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncsc1C(=O)NCc1ccc(-n2cc(-c3ccc(C#N)c(Cl)c3)cn2)cc1F
InChIInChI=1S/C23H17ClFN5OS/c1-2-21-22(32-13-28-21)23(31)27-10-16-5-6-18(8-20(16)25)30-12-17(11-29-30)14-3-4-15(9-26)19(24)7-14/h3-8,11-13H,2,10H2,1H3,(H,27,31)
InChIKeyOAJMILSSQYHIPX-UHFFFAOYSA-N
XLogP5.15
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.94
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-[4-(3-chloro-4-cyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(3-chloro-4-cyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[4-[4-(3-chloro-4-cyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide (CID 155022759) is N-[[4-[4-(3-chloro-4-cyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[4-[4-(3-chloro-4-cyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[4-[4-(3-chloro-4-cyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide is CCc1ncsc1C(=O)NCc1ccc(-n2cc(-c3ccc(C#N)c(Cl)c3)cn2)cc1F.
What is the InChIKey of N-[[4-[4-(3-chloro-4-cyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide?
The InChIKey is OAJMILSSQYHIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN5OS/c1-2-21-22(32-13-28-21)23(31)27-10-16-5-6-18(8-20(16)25)30-12-17(11-29-30)14-3-4-15(9-26)19(24)7-14/h3-8,11-13H,2,10H2,1H3,(H,27,31).
What are the key properties of N-[[4-[4-(3-chloro-4-cyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide?
N-[[4-[4-(3-chloro-4-cyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide has a molecular weight of 465.94 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(3-chloro-4-cyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 155022759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).