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

C21H18N4OS — CID 34406836

IUPAC5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3cnn(-c4ccccc4)c3C)c2)cs1
InChIInChI=1S/C21H18N4OS/c1-14-19(12-22-25(14)18-9-4-3-5-10-18)21(26)24-17-8-6-7-16(11-17)20-13-27-15(2)23-20/h3-13H,1-2H3,(H,24,26)
InChIKeyLRYFCTJZXZQFJO-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.86
Rot. Bonds4

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

5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 34406836) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is 5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenylpyrazole-4-carboxamide
PubChem CID34406836
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC Name5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3cnn(-c4ccccc4)c3C)c2)cs1
InChIInChI=1S/C21H18N4OS/c1-14-19(12-22-25(14)18-9-4-3-5-10-18)21(26)24-17-8-6-7-16(11-17)20-13-27-15(2)23-20/h3-13H,1-2H3,(H,24,26)
InChIKeyLRYFCTJZXZQFJO-UHFFFAOYSA-N
XLogP4.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.86
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
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5-methyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 122284883
5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1-phenylpyrazole-4-carboxamide
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CID 46527452
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2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
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2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
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5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108810824
5-methyl-1-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 108738561
1-benzyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide
CID 9324775
N-[3-(1,3-dithiolan-2-yl)phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenylpyrazole-4-carboxamide (CID 34406836) is 5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenylpyrazole-4-carboxamide is Cc1nc(-c2cccc(NC(=O)c3cnn(-c4ccccc4)c3C)c2)cs1.
What is the InChIKey of 5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is LRYFCTJZXZQFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-14-19(12-22-25(14)18-9-4-3-5-10-18)21(26)24-17-8-6-7-16(11-17)20-13-27-15(2)23-20/h3-13H,1-2H3,(H,24,26).
What are the key properties of 5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenylpyrazole-4-carboxamide?
5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 34406836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).