2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide

C13H20F2N4O — CID 891733

IUPAC2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)Cn1nc(C(F)F)cc1C1CC1
InChIInChI=1S/C13H20F2N4O/c1-18(2)6-5-16-12(20)8-19-11(9-3-4-9)7-10(17-19)13(14)15/h7,9,13H,3-6,8H2,1-2H3,(H,16,20)
InChIKeyZBOGXKHLZDTILF-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.38
Rot. Bonds7

About 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide

2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 891733) has the molecular formula C13H20F2N4O and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID891733
Molecular FormulaC13H20F2N4O
Molecular Weight286.33 g/mol
Exact Mass286.16
IUPAC Name2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)Cn1nc(C(F)F)cc1C1CC1
InChIInChI=1S/C13H20F2N4O/c1-18(2)6-5-16-12(20)8-19-11(9-3-4-9)7-10(17-19)13(14)15/h7,9,13H,3-6,8H2,1-2H3,(H,16,20)
InChIKeyZBOGXKHLZDTILF-UHFFFAOYSA-N
XLogP1.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Cyclohex-1-enyl-ethyl)-2-(3,5-dimethyl-pyrazol-1-yl)-acetamide
CID 3153925
N-cyclopentyl-2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamide
CID 841522
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide
CID 1923948
7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 122438535
2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone
CID 892173
N-cycloheptyl-2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamide
CID 1224578
N-[2-(1-cyclohexen-1-yl)ethyl]-2-[5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 893028
1-[2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]-4-piperidinecarbothioamide
CID 58078897
5-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-1,5-diazacycloundecan-2-one
CID 110201380
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1,3-dimethyl-1H-pyrazol-4-yl)acetamide
CID 843837
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-methyl-1H-pyrazol-5-yl)methyl]acetamide
CID 4765525
3-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-methyl-1H-pyrazol-5-yl)methyl]propanamide
CID 4770006

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide (CID 891733) is 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide is CN(C)CCNC(=O)Cn1nc(C(F)F)cc1C1CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is ZBOGXKHLZDTILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N4O/c1-18(2)6-5-16-12(20)8-19-11(9-3-4-9)7-10(17-19)13(14)15/h7,9,13H,3-6,8H2,1-2H3,(H,16,20).
What are the key properties of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide?
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 286.33 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 891733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).