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

C27H22N4OS — CID 108738561

IUPAC5-methyl-1-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cccc(-c3nc(-c4ccccc4)cs3)c2)cnn1-c1ccccc1
InChIInChI=1S/C27H22N4OS/c1-19-24(17-29-31(19)23-13-6-3-7-14-23)26(32)28-16-20-9-8-12-22(15-20)27-30-25(18-33-27)21-10-4-2-5-11-21/h2-15,17-18H,16H2,1H3,(H,28,32)
InChIKeyZOGMKHXNWWTOBP-UHFFFAOYSA-N
MW450.57 g/mol
LogP5.90
Rot. Bonds6

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

5-methyl-1-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 108738561) has the molecular formula C27H22N4OS and a molecular weight of 450.57 g/mol. Its IUPAC name is 5-methyl-1-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID108738561
Molecular FormulaC27H22N4OS
Molecular Weight450.57 g/mol
Exact Mass450.15
IUPAC Name5-methyl-1-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cccc(-c3nc(-c4ccccc4)cs3)c2)cnn1-c1ccccc1
InChIInChI=1S/C27H22N4OS/c1-19-24(17-29-31(19)23-13-6-3-7-14-23)26(32)28-16-20-9-8-12-22(15-20)27-30-25(18-33-27)21-10-4-2-5-11-21/h2-15,17-18H,16H2,1H3,(H,28,32)
InChIKeyZOGMKHXNWWTOBP-UHFFFAOYSA-N
XLogP5.90
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.57
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide
CID 108761369
N-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 94048318
5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 90546458
5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 108737353
5-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
CID 108737493
ethyl N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate
CID 108738545
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide
CID 54774064
5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 46139091
5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 34406836
3-methyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 54773936
2-bromo-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774149
2-(3,5-dimethylphenoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108738591

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide (CID 108738561) is 5-methyl-1-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide is Cc1c(C(=O)NCc2cccc(-c3nc(-c4ccccc4)cs3)c2)cnn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is ZOGMKHXNWWTOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4OS/c1-19-24(17-29-31(19)23-13-6-3-7-14-23)26(32)28-16-20-9-8-12-22(15-20)27-30-25(18-33-27)21-10-4-2-5-11-21/h2-15,17-18H,16H2,1H3,(H,28,32).
What are the key properties of 5-methyl-1-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide?
5-methyl-1-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 450.57 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 108738561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).