N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide

C21H15F3N4OS — CID 2123127

IUPACN-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide
SMILESCc1csc(-c2cnn(-c3ccccc3)c2NC(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C21H15F3N4OS/c1-13-12-30-20(26-13)17-11-25-28(16-5-3-2-4-6-16)18(17)27-19(29)14-7-9-15(10-8-14)21(22,23)24/h2-12H,1H3,(H,27,29)
InChIKeyPQJIGSQKFMOUCG-UHFFFAOYSA-N
MW428.44 g/mol
LogP5.58
Rot. Bonds4

About N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide

N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide (PubChem CID 2123127) has the molecular formula C21H15F3N4OS and a molecular weight of 428.44 g/mol. Its IUPAC name is N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide
PubChem CID2123127
Molecular FormulaC21H15F3N4OS
Molecular Weight428.44 g/mol
Exact Mass428.09
IUPAC NameN-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide
SMILESCc1csc(-c2cnn(-c3ccccc3)c2NC(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C21H15F3N4OS/c1-13-12-30-20(26-13)17-11-25-28(16-5-3-2-4-6-16)18(17)27-19(29)14-7-9-15(10-8-14)21(22,23)24/h2-12H,1H3,(H,27,29)
InChIKeyPQJIGSQKFMOUCG-UHFFFAOYSA-N
XLogP5.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.44
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-(2,4-difluorophenyl)thiazol-2-yl)-4-(pyridazin-4-ylamino)benzamide
CID 11675904
4-methyl-N-(3-(3-methyl-1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(pyridin-3-yl)thiazol-2-ylamino)benzamide
CID 51030532
4-methyl-N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl)-3-(4-(pyridin-3-yl)thiazol-2-ylamino)benzamide
CID 51030714
N-(1$#8243;,5-dimethyl-1H,1$#8243;H-3,1'':3'',4$#8243;-terpyrazol-5''-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 145866428
1,3-diphenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 882594
N-(4-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336083
1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 2477783
1-(2-fluorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 32069800
N-(1-{1-[(4-isopropyl-1,3-thiazol-2-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-phenylacetamide
CID 24819278
(2,6-difluorophenyl)-N-{5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl](1,3-thiazol-2-yl)}carboxamide
CID 56848090
2-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazol-2-yl]benzamide
CID 56848137
2-fluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 56848250

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide (CID 2123127) is N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide is Cc1csc(-c2cnn(-c3ccccc3)c2NC(=O)c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is PQJIGSQKFMOUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4OS/c1-13-12-30-20(26-13)17-11-25-28(16-5-3-2-4-6-16)18(17)27-19(29)14-7-9-15(10-8-14)21(22,23)24/h2-12H,1H3,(H,27,29).
What are the key properties of N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide?
N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 428.44 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 2123127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).