N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide

C22H19ClN4OS — CID 121123189

IUPACN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nc(-c2ccccc2Cl)sc1CNC(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C22H19ClN4OS/c1-14-20(29-22(26-14)17-10-6-7-11-19(17)23)13-24-21(28)18-12-25-27(15(18)2)16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H,24,28)
InChIKeyNKLZZVCTDVCGJD-UHFFFAOYSA-N
MW422.94 g/mol
LogP5.20
Rot. Bonds5

About N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide

N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 121123189) has the molecular formula C22H19ClN4OS and a molecular weight of 422.94 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID121123189
Molecular FormulaC22H19ClN4OS
Molecular Weight422.94 g/mol
Exact Mass422.10
IUPAC NameN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nc(-c2ccccc2Cl)sc1CNC(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C22H19ClN4OS/c1-14-20(29-22(26-14)17-10-6-7-11-19(17)23)13-24-21(28)18-12-25-27(15(18)2)16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H,24,28)
InChIKeyNKLZZVCTDVCGJD-UHFFFAOYSA-N
XLogP5.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.94
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 90546458
2-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide
CID 71795631
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-iodobenzamide
CID 121123060
5-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
CID 108737493
2-chloro-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-nitrobenzamide
CID 121123062
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea
CID 71795664
5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 108737353
1-acetyl-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide
CID 86263734
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 121123180
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 71795614
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62402688
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea
CID 71795660

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide (CID 121123189) is N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide is Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1cnn(-c2ccccc2)c1C.
What is the InChIKey of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is NKLZZVCTDVCGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4OS/c1-14-20(29-22(26-14)17-10-6-7-11-19(17)23)13-24-21(28)18-12-25-27(15(18)2)16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H,24,28).
What are the key properties of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 422.94 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 121123189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).