2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide

C14H20F2N6O — CID 71981945

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide
SMILESCCC(NC(=O)Cc1c(C)nn(C(F)F)c1C)c1n[nH]c(C)n1
InChIInChI=1S/C14H20F2N6O/c1-5-11(13-17-9(4)19-20-13)18-12(23)6-10-7(2)21-22(8(10)3)14(15)16/h11,14H,5-6H2,1-4H3,(H,18,23)(H,17,19,20)
InChIKeyXGUFFCUQOORTLN-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.13
Rot. Bonds6

About 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide (PubChem CID 71981945) has the molecular formula C14H20F2N6O and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide
PubChem CID71981945
Molecular FormulaC14H20F2N6O
Molecular Weight326.35 g/mol
Exact Mass326.17
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide
SMILESCCC(NC(=O)Cc1c(C)nn(C(F)F)c1C)c1n[nH]c(C)n1
InChIInChI=1S/C14H20F2N6O/c1-5-11(13-17-9(4)19-20-13)18-12(23)6-10-7(2)21-22(8(10)3)14(15)16/h11,14H,5-6H2,1-4H3,(H,18,23)(H,17,19,20)
InChIKeyXGUFFCUQOORTLN-UHFFFAOYSA-N
XLogP2.13
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 56877804
N-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-1-isopropyl-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 118784094
3-ethyl-4-methyl-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}-1H-pyrazole-5-carboxamide
CID 124212168
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylacetamide
CID 124213427
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 125518249
2-{5-[(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1H-1,2,4-triazol-3-yl}acetamide
CID 131946087
4,5-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 132385621
1-butan-2-yl-4-(1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 129204769
[5-(1-{[3-(1,3,5-Trimethyl-1h-pyrazol-4-yl)propanoyl]amino}ethyl)-4h-1,2,4-triazol-3-yl]acetic acid
CID 131936254
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylacetamide
CID 16620861
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-propylacetamide
CID 16621129
N-cyclopentyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 16621654

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide (CID 71981945) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide is CCC(NC(=O)Cc1c(C)nn(C(F)F)c1C)c1n[nH]c(C)n1.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide?
The InChIKey is XGUFFCUQOORTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N6O/c1-5-11(13-17-9(4)19-20-13)18-12(23)6-10-7(2)21-22(8(10)3)14(15)16/h11,14H,5-6H2,1-4H3,(H,18,23)(H,17,19,20).
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide has a molecular weight of 326.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide is sourced from PubChem (CID 71981945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).