1-benzyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide

C21H18N4OS — CID 9324775

IUPAC1-benzyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3cnn(Cc4ccccc4)c3)c2)cs1
InChIInChI=1S/C21H18N4OS/c1-15-23-20(14-27-15)17-8-5-9-19(10-17)24-21(26)18-11-22-25(13-18)12-16-6-3-2-4-7-16/h2-11,13-14H,12H2,1H3,(H,24,26)
InChIKeyNZHJYAFXVLYLPZ-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.62
Rot. Bonds5

About 1-benzyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide

1-benzyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide (PubChem CID 9324775) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is 1-benzyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide
PubChem CID9324775
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC Name1-benzyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3cnn(Cc4ccccc4)c3)c2)cs1
InChIInChI=1S/C21H18N4OS/c1-15-23-20(14-27-15)17-8-5-9-19(10-17)24-21(26)18-11-22-25(13-18)12-16-6-3-2-4-7-16/h2-11,13-14H,12H2,1H3,(H,24,26)
InChIKeyNZHJYAFXVLYLPZ-UHFFFAOYSA-N
XLogP4.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1362516
5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 34406836
1-benzyl-N-(3-cyanophenyl)pyrazole-4-carboxamide
CID 26245593
1-benzyl-N-(3-ethynylphenyl)pyrazole-4-carboxamide
CID 46540728
3-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]benzoic acid
CID 167774425
ethyl 1-[[4-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate
CID 58127684
3-fluoro-4-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 26927659
3-(6-methylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 169412103
3-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859281
1-[(4-methoxyphenyl)methyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide
CID 136524555
1-[[4-(3-acetylphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylic acid
CID 58127895

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide (CID 9324775) is 1-benzyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide is Cc1nc(-c2cccc(NC(=O)c3cnn(Cc4ccccc4)c3)c2)cs1.
What is the InChIKey of 1-benzyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide?
The InChIKey is NZHJYAFXVLYLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-15-23-20(14-27-15)17-8-5-9-19(10-17)24-21(26)18-11-22-25(13-18)12-16-6-3-2-4-7-16/h2-11,13-14H,12H2,1H3,(H,24,26).
What are the key properties of 1-benzyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide?
1-benzyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 9324775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).