N-[1-(5-methyl-1H-pyrazol-3-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide

C24H18F3N7OS — CID 118394349

IUPACN-[1-(5-methyl-1H-pyrazol-3-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
SMILESCc1csc(-c2cc(C(=O)Nc3cc(-c4ccccn4)nn3-c3cc(C)[nH]n3)ccc2C(F)(F)F)n1
InChIInChI=1S/C24H18F3N7OS/c1-13-9-21(32-31-13)34-20(11-19(33-34)18-5-3-4-8-28-18)30-22(35)15-6-7-17(24(25,26)27)16(10-15)23-29-14(2)12-36-23/h3-12H,1-2H3,(H,30,35)(H,31,32)
InChIKeyZQVDZVORZOGMOX-UHFFFAOYSA-N
MW509.52 g/mol
LogP5.67
Rot. Bonds5

About N-[1-(5-methyl-1H-pyrazol-3-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide

N-[1-(5-methyl-1H-pyrazol-3-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118394349) has the molecular formula C24H18F3N7OS and a molecular weight of 509.52 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-pyrazol-3-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-pyrazol-3-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
PubChem CID118394349
Molecular FormulaC24H18F3N7OS
Molecular Weight509.52 g/mol
Exact Mass509.12
IUPAC NameN-[1-(5-methyl-1H-pyrazol-3-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
SMILESCc1csc(-c2cc(C(=O)Nc3cc(-c4ccccn4)nn3-c3cc(C)[nH]n3)ccc2C(F)(F)F)n1
InChIInChI=1S/C24H18F3N7OS/c1-13-9-21(32-31-13)34-20(11-19(33-34)18-5-3-4-8-28-18)30-22(35)15-6-7-17(24(25,26)27)16(10-15)23-29-14(2)12-36-23/h3-12H,1-2H3,(H,30,35)(H,31,32)
InChIKeyZQVDZVORZOGMOX-UHFFFAOYSA-N
XLogP5.67
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.52
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide (CID 118394349) is N-[1-(5-methyl-1H-pyrazol-3-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(5-methyl-1H-pyrazol-3-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(5-methyl-1H-pyrazol-3-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide is Cc1csc(-c2cc(C(=O)Nc3cc(-c4ccccn4)nn3-c3cc(C)[nH]n3)ccc2C(F)(F)F)n1.
What is the InChIKey of N-[1-(5-methyl-1H-pyrazol-3-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is ZQVDZVORZOGMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N7OS/c1-13-9-21(32-31-13)34-20(11-19(33-34)18-5-3-4-8-28-18)30-22(35)15-6-7-17(24(25,26)27)16(10-15)23-29-14(2)12-36-23/h3-12H,1-2H3,(H,30,35)(H,31,32).
What are the key properties of N-[1-(5-methyl-1H-pyrazol-3-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide?
N-[1-(5-methyl-1H-pyrazol-3-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 509.52 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-pyrazol-3-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118394349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).