2-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

C22H19ClN4O2S — CID 50751095

IUPAC2-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2[nH]c(C)c(Cc3ccccc3)c2=O)sc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H19ClN4O2S/c1-13-18(11-15-7-4-3-5-8-15)21(29)27(26-13)22-24-14(2)19(30-22)20(28)25-17-10-6-9-16(23)12-17/h3-10,12,26H,11H2,1-2H3,(H,25,28)
InChIKeyXHNWDZTTWAZOGT-UHFFFAOYSA-N
MW438.94 g/mol
LogP4.74
Rot. Bonds5

About 2-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

2-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 50751095) has the molecular formula C22H19ClN4O2S and a molecular weight of 438.94 g/mol. Its IUPAC name is 2-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID50751095
Molecular FormulaC22H19ClN4O2S
Molecular Weight438.94 g/mol
Exact Mass438.09
IUPAC Name2-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2[nH]c(C)c(Cc3ccccc3)c2=O)sc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H19ClN4O2S/c1-13-18(11-15-7-4-3-5-8-15)21(29)27(26-13)22-24-14(2)19(30-22)20(28)25-17-10-6-9-16(23)12-17/h3-10,12,26H,11H2,1-2H3,(H,25,28)
InChIKeyXHNWDZTTWAZOGT-UHFFFAOYSA-N
XLogP4.74
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 23611606
2-(4-butyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(5-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 20898693
N-(3-chlorophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468179
N-(4-acetylphenyl)-4-methyl-2-[5-methyl-4-(3-methylbutyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-5-carboxamide
CID 20898769
2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 39886571
N-(3-chlorophenyl)-3-[5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]propanamide
CID 50750942
N-(3-chlorophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138637
N-(3-acetylphenyl)-2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 23611669
N-(3-chlorophenyl)-4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387401
2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 46263558
2-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-N-phenyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28888388
N-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 50751095) is 2-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-n2[nH]c(C)c(Cc3ccccc3)c2=O)sc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is XHNWDZTTWAZOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2S/c1-13-18(11-15-7-4-3-5-8-15)21(29)27(26-13)22-24-14(2)19(30-22)20(28)25-17-10-6-9-16(23)12-17/h3-10,12,26H,11H2,1-2H3,(H,25,28).
What are the key properties of 2-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 438.94 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 50751095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).