N-[1-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzamide

C26H17F4N5O2 — CID 129192663

IUPACN-[1-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCc1cc(-c2cc(C(=O)Nc3cc(-c4ccncc4)nn3-c3ccc(F)cc3)ccc2C(F)(F)F)no1
InChIInChI=1S/C26H17F4N5O2/c1-15-12-23(34-37-15)20-13-17(2-7-21(20)26(28,29)30)25(36)32-24-14-22(16-8-10-31-11-9-16)33-35(24)19-5-3-18(27)4-6-19/h2-14H,1H3,(H,32,36)
InChIKeyOZEDLQGESODLME-UHFFFAOYSA-N
MW507.45 g/mol
LogP6.31
Rot. Bonds5

About N-[1-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzamide

N-[1-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 129192663) has the molecular formula C26H17F4N5O2 and a molecular weight of 507.45 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID129192663
Molecular FormulaC26H17F4N5O2
Molecular Weight507.45 g/mol
Exact Mass507.13
IUPAC NameN-[1-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCc1cc(-c2cc(C(=O)Nc3cc(-c4ccncc4)nn3-c3ccc(F)cc3)ccc2C(F)(F)F)no1
InChIInChI=1S/C26H17F4N5O2/c1-15-12-23(34-37-15)20-13-17(2-7-21(20)26(28,29)30)25(36)32-24-14-22(16-8-10-31-11-9-16)33-35(24)19-5-3-18(27)4-6-19/h2-14H,1H3,(H,32,36)
InChIKeyOZEDLQGESODLME-UHFFFAOYSA-N
XLogP6.31
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.45
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzamide (CID 129192663) is N-[1-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzamide is Cc1cc(-c2cc(C(=O)Nc3cc(-c4ccncc4)nn3-c3ccc(F)cc3)ccc2C(F)(F)F)no1.
What is the InChIKey of N-[1-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is OZEDLQGESODLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F4N5O2/c1-15-12-23(34-37-15)20-13-17(2-7-21(20)26(28,29)30)25(36)32-24-14-22(16-8-10-31-11-9-16)33-35(24)19-5-3-18(27)4-6-19/h2-14H,1H3,(H,32,36).
What are the key properties of N-[1-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzamide?
N-[1-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 507.45 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-3-pyridin-4-ylpyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 129192663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).