2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide

C18H14F3N7OS — CID 122638743

IUPAC2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1[nH]ncc1-c1nc(C(=O)Nc2cn(CC(F)(F)F)nc2-c2ccccn2)cs1
InChIInChI=1S/C18H14F3N7OS/c1-10-11(6-23-26-10)17-25-14(8-30-17)16(29)24-13-7-28(9-18(19,20)21)27-15(13)12-4-2-3-5-22-12/h2-8H,9H2,1H3,(H,23,26)(H,24,29)
InChIKeyZKLATGYUKIHOFI-UHFFFAOYSA-N
MW433.42 g/mol
LogP3.91
Rot. Bonds5

About 2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide

2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 122638743) has the molecular formula C18H14F3N7OS and a molecular weight of 433.42 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID122638743
Molecular FormulaC18H14F3N7OS
Molecular Weight433.42 g/mol
Exact Mass433.09
IUPAC Name2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1[nH]ncc1-c1nc(C(=O)Nc2cn(CC(F)(F)F)nc2-c2ccccn2)cs1
InChIInChI=1S/C18H14F3N7OS/c1-10-11(6-23-26-10)17-25-14(8-30-17)16(29)24-13-7-28(9-18(19,20)21)27-15(13)12-4-2-3-5-22-12/h2-8H,9H2,1H3,(H,23,26)(H,24,29)
InChIKeyZKLATGYUKIHOFI-UHFFFAOYSA-N
XLogP3.91
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 122638743) is 2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide is Cc1[nH]ncc1-c1nc(C(=O)Nc2cn(CC(F)(F)F)nc2-c2ccccn2)cs1.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZKLATGYUKIHOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N7OS/c1-10-11(6-23-26-10)17-25-14(8-30-17)16(29)24-13-7-28(9-18(19,20)21)27-15(13)12-4-2-3-5-22-12/h2-8H,9H2,1H3,(H,23,26)(H,24,29).
What are the key properties of 2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 433.42 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122638743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).