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

C15H24F2N4O — CID 48652119

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
SMILESCCN1CCCC1CNC(=O)Cc1c(C)nn(C(F)F)c1C
InChIInChI=1S/C15H24F2N4O/c1-4-20-7-5-6-12(20)9-18-14(22)8-13-10(2)19-21(11(13)3)15(16)17/h12,15H,4-9H2,1-3H3,(H,18,22)
InChIKeyUQZMTTOYBLEJJI-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.04
Rot. Bonds6

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

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide (PubChem CID 48652119) 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]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
PubChem CID48652119
Molecular FormulaC15H24F2N4O
Molecular Weight314.38 g/mol
Exact Mass314.19
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
SMILESCCN1CCCC1CNC(=O)Cc1c(C)nn(C(F)F)c1C
InChIInChI=1S/C15H24F2N4O/c1-4-20-7-5-6-12(20)9-18-14(22)8-13-10(2)19-21(11(13)3)15(16)17/h12,15H,4-9H2,1-3H3,(H,18,22)
InChIKeyUQZMTTOYBLEJJI-UHFFFAOYSA-N
XLogP2.04
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 39935160
N-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47018724
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 70718457
N-(1-methoxypropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43044813
N-[2-(dimethylamino)ethyl]-5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502077
N-cyclopropyl-5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502086
N-ethyl-5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502104
5-methyl-1-(1-methylpiperidin-3-yl)-N-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502105
N-isobutyl-5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 45502106
N-butan-2-yl-5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502107
5-methyl-N-(3-methylbutyl)-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502109
N-cyclopentyl-5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502115

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide (CID 48652119) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide is CCN1CCCC1CNC(=O)Cc1c(C)nn(C(F)F)c1C.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
The InChIKey is UQZMTTOYBLEJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N4O/c1-4-20-7-5-6-12(20)9-18-14(22)8-13-10(2)19-21(11(13)3)15(16)17/h12,15H,4-9H2,1-3H3,(H,18,22).
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide has a molecular weight of 314.38 g/mol, XLogP of 2.04, 6 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]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide is sourced from PubChem (CID 48652119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).