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

C19H20F4N6O — CID 76902961

IUPACN-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide
SMILESCc1nc(C(F)(F)F)nn1C(C)C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(C)C
InChIInChI=1S/C19H20F4N6O/c1-10(2)16-15(9-24-29(16)14-7-5-13(20)6-8-14)26-17(30)11(3)28-12(4)25-18(27-28)19(21,22)23/h5-11H,1-4H3,(H,26,30)
InChIKeyNRFBLAOTMBFPLA-UHFFFAOYSA-N
MW424.40 g/mol
LogP4.25
Rot. Bonds5

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

N-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide (PubChem CID 76902961) has the molecular formula C19H20F4N6O and a molecular weight of 424.40 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]propanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide
PubChem CID76902961
Molecular FormulaC19H20F4N6O
Molecular Weight424.40 g/mol
Exact Mass424.16
IUPAC NameN-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide
SMILESCc1nc(C(F)(F)F)nn1C(C)C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(C)C
InChIInChI=1S/C19H20F4N6O/c1-10(2)16-15(9-24-29(16)14-7-5-13(20)6-8-14)26-17(30)11(3)28-12(4)25-18(27-28)19(21,22)23/h5-11H,1-4H3,(H,26,30)
InChIKeyNRFBLAOTMBFPLA-UHFFFAOYSA-N
XLogP4.25
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 54.25
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]propanamide?
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]propanamide (CID 76902961) is N-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide.
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]propanamide?
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]propanamide is Cc1nc(C(F)(F)F)nn1C(C)C(=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]propanamide?
The InChIKey is NRFBLAOTMBFPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N6O/c1-10(2)16-15(9-24-29(16)14-7-5-13(20)6-8-14)26-17(30)11(3)28-12(4)25-18(27-28)19(21,22)23/h5-11H,1-4H3,(H,26,30).
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]propanamide?
N-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide has a molecular weight of 424.40 g/mol, XLogP of 4.25, 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]propanamide is sourced from PubChem (CID 76902961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).