2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone

C15H24F2N4O — CID 119546351

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
SMILESCNCC1CCN(C(=O)Cc2c(C)nn(C(F)F)c2C)CC1
InChIInChI=1S/C15H24F2N4O/c1-10-13(11(2)21(19-10)15(16)17)8-14(22)20-6-4-12(5-7-20)9-18-3/h12,15,18H,4-9H2,1-3H3
InChIKeyNWGXPOAWCFKAAD-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.90
Rot. Bonds5

About 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone (PubChem CID 119546351) has the molecular formula C15H24F2N4O and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
PubChem CID119546351
Molecular FormulaC15H24F2N4O
Molecular Weight314.38 g/mol
Exact Mass314.19
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
SMILESCNCC1CCN(C(=O)Cc2c(C)nn(C(F)F)c2C)CC1
InChIInChI=1S/C15H24F2N4O/c1-10-13(11(2)21(19-10)15(16)17)8-14(22)20-6-4-12(5-7-20)9-18-3/h12,15,18H,4-9H2,1-3H3
InChIKeyNWGXPOAWCFKAAD-UHFFFAOYSA-N
XLogP1.90
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 99776144
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 99604016
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone
CID 146084307
2-[1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid
CID 79612727
(3S,4S)-1-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951616
2-(2,6-dimethoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119545416
1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 22983136
2-cyclopropyl-2-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]acetic acid
CID 119213672
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
CID 136579462
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 94811198
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 48650609
(3aS,7aS)-2-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120628829

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone (CID 119546351) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone is CNCC1CCN(C(=O)Cc2c(C)nn(C(F)F)c2C)CC1.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone?
The InChIKey is NWGXPOAWCFKAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N4O/c1-10-13(11(2)21(19-10)15(16)17)8-14(22)20-6-4-12(5-7-20)9-18-3/h12,15,18H,4-9H2,1-3H3.
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone has a molecular weight of 314.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 119546351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).