N-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide

C18H18F4N6O — CID 162567410

IUPACN-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
SMILESCc1nc(C(F)(F)F)nn1CC(=O)Nc1cnn(-c2ccc(F)cc2)c1C(C)C
InChIInChI=1S/C18H18F4N6O/c1-10(2)16-14(8-23-28(16)13-6-4-12(19)5-7-13)25-15(29)9-27-11(3)24-17(26-27)18(20,21)22/h4-8,10H,9H2,1-3H3,(H,25,29)
InChIKeySIFSDXPNHXGDGI-UHFFFAOYSA-N
MW410.38 g/mol
LogP3.69
Rot. Bonds5

About N-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide

N-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide (PubChem CID 162567410) has the molecular formula C18H18F4N6O and a molecular weight of 410.38 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
PubChem CID162567410
Molecular FormulaC18H18F4N6O
Molecular Weight410.38 g/mol
Exact Mass410.15
IUPAC NameN-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
SMILESCc1nc(C(F)(F)F)nn1CC(=O)Nc1cnn(-c2ccc(F)cc2)c1C(C)C
InChIInChI=1S/C18H18F4N6O/c1-10(2)16-14(8-23-28(16)13-6-4-12(19)5-7-13)25-15(29)9-27-11(3)24-17(26-27)18(20,21)22/h4-8,10H,9H2,1-3H3,(H,25,29)
InChIKeySIFSDXPNHXGDGI-UHFFFAOYSA-N
XLogP3.69
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 53.69
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)-5-propan-2-ylpyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide (CID 162567410) is N-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide is Cc1nc(C(F)(F)F)nn1CC(=O)Nc1cnn(-c2ccc(F)cc2)c1C(C)C.
What is the InChIKey of N-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide?
The InChIKey is SIFSDXPNHXGDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N6O/c1-10(2)16-14(8-23-28(16)13-6-4-12(19)5-7-13)25-15(29)9-27-11(3)24-17(26-27)18(20,21)22/h4-8,10H,9H2,1-3H3,(H,25,29).
What are the key properties of N-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide?
N-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide has a molecular weight of 410.38 g/mol, XLogP of 3.69, 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)-5-propan-2-ylpyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide is sourced from PubChem (CID 162567410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).