2-(3,5-dimethylpyrazol-1-yl)-N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide

C17H19FN6O — CID 56827442

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide
SMILESCc1cc(C)n(C(C)C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)n1
InChIInChI=1S/C17H19FN6O/c1-10-8-11(2)24(23-10)12(3)17(25)19-9-15-20-16(22-21-15)13-4-6-14(18)7-5-13/h4-8,12H,9H2,1-3H3,(H,19,25)(H,20,21,22)
InChIKeyPEUCDXMHNIXZMO-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.30
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide

2-(3,5-dimethylpyrazol-1-yl)-N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide (PubChem CID 56827442) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide
PubChem CID56827442
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide
SMILESCc1cc(C)n(C(C)C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)n1
InChIInChI=1S/C17H19FN6O/c1-10-8-11(2)24(23-10)12(3)17(25)19-9-15-20-16(22-21-15)13-4-6-14(18)7-5-13/h4-8,12H,9H2,1-3H3,(H,19,25)(H,20,21,22)
InChIKeyPEUCDXMHNIXZMO-UHFFFAOYSA-N
XLogP2.30
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide (CID 56827442) is 2-(3,5-dimethylpyrazol-1-yl)-N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide is Cc1cc(C)n(C(C)C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide?
The InChIKey is PEUCDXMHNIXZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O/c1-10-8-11(2)24(23-10)12(3)17(25)19-9-15-20-16(22-21-15)13-4-6-14(18)7-5-13/h4-8,12H,9H2,1-3H3,(H,19,25)(H,20,21,22).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide has a molecular weight of 342.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide is sourced from PubChem (CID 56827442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).