N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-propylpyrazole-4-carboxamide

C24H23ClN4OS — CID 2813316

IUPACN-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2nc(-c3ccc(C)c(Cl)c3)c(C)s2)cnn1-c1ccccc1
InChIInChI=1S/C24H23ClN4OS/c1-4-8-21-19(14-26-29(21)18-9-6-5-7-10-18)23(30)28-24-27-22(16(3)31-24)17-12-11-15(2)20(25)13-17/h5-7,9-14H,4,8H2,1-3H3,(H,27,28,30)
InChIKeyKJRRICADUHNBLL-UHFFFAOYSA-N
MW451.00 g/mol
LogP6.47
Rot. Bonds6

About N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-propylpyrazole-4-carboxamide

N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-propylpyrazole-4-carboxamide (PubChem CID 2813316) has the molecular formula C24H23ClN4OS and a molecular weight of 451.00 g/mol. Its IUPAC name is N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-propylpyrazole-4-carboxamide
PubChem CID2813316
Molecular FormulaC24H23ClN4OS
Molecular Weight451.00 g/mol
Exact Mass450.13
IUPAC NameN-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2nc(-c3ccc(C)c(Cl)c3)c(C)s2)cnn1-c1ccccc1
InChIInChI=1S/C24H23ClN4OS/c1-4-8-21-19(14-26-29(21)18-9-6-5-7-10-18)23(30)28-24-27-22(16(3)31-24)17-12-11-15(2)20(25)13-17/h5-7,9-14H,4,8H2,1-3H3,(H,27,28,30)
InChIKeyKJRRICADUHNBLL-UHFFFAOYSA-N
XLogP6.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.00
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-propylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-propylpyrazole-4-carboxamide (CID 2813316) is N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-propylpyrazole-4-carboxamide is CCCc1c(C(=O)Nc2nc(-c3ccc(C)c(Cl)c3)c(C)s2)cnn1-c1ccccc1.
What is the InChIKey of N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-propylpyrazole-4-carboxamide?
The InChIKey is KJRRICADUHNBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4OS/c1-4-8-21-19(14-26-29(21)18-9-6-5-7-10-18)23(30)28-24-27-22(16(3)31-24)17-12-11-15(2)20(25)13-17/h5-7,9-14H,4,8H2,1-3H3,(H,27,28,30).
What are the key properties of N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-propylpyrazole-4-carboxamide?
N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-propylpyrazole-4-carboxamide has a molecular weight of 451.00 g/mol, XLogP of 6.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-propylpyrazole-4-carboxamide is sourced from PubChem (CID 2813316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).