2-[4-(3-amino-2,6-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide

C13H14F2N4O — CID 171921652

IUPAC2-[4-(3-amino-2,6-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(-c2c(F)ccc(N)c2F)cn1
InChIInChI=1S/C13H14F2N4O/c1-18(2)11(20)7-19-6-8(5-17-19)12-9(14)3-4-10(16)13(12)15/h3-6H,7,16H2,1-2H3
InChIKeyKAQMDKRZHAUVMO-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.50
Rot. Bonds3

About 2-[4-(3-amino-2,6-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide

2-[4-(3-amino-2,6-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide (PubChem CID 171921652) has the molecular formula C13H14F2N4O and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[4-(3-amino-2,6-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(3-amino-2,6-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide
PubChem CID171921652
Molecular FormulaC13H14F2N4O
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-[4-(3-amino-2,6-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(-c2c(F)ccc(N)c2F)cn1
InChIInChI=1S/C13H14F2N4O/c1-18(2)11(20)7-19-6-8(5-17-19)12-9(14)3-4-10(16)13(12)15/h3-6H,7,16H2,1-2H3
InChIKeyKAQMDKRZHAUVMO-UHFFFAOYSA-N
XLogP1.50
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-3-(1-propylpyrazol-4-yl)aniline
CID 171921636
2-[4-(4-amino-2,5-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide
CID 175670012
tert-butyl 4-[[4-(3-amino-2,6-difluorophenyl)pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 171921646
4-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-2-fluoro-5-methylbenzoic acid
CID 171906135
2-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-4-fluoro-5-methylbenzoic acid
CID 172914566
2-[4-[5-(cyanomethyl)-2-fluorophenyl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 175670115
2-[4-[4-(cyanomethyl)-3-fluorophenyl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 175670183
2-(difluoromethoxy)-4-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzoic acid
CID 171382939
2-[4-(4-amino-2-cyanophenyl)pyrazol-1-yl]-N,N-dimethylacetamide
CID 171663223
2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 59492627
2-[4-[5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methyl-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 69045617
4-[4-(2-aminophenyl)pyrazol-1-yl]-N,N-dimethylbutanamide
CID 63338474

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-amino-2,6-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(3-amino-2,6-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide (CID 171921652) is 2-[4-(3-amino-2,6-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(3-amino-2,6-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(3-amino-2,6-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1cc(-c2c(F)ccc(N)c2F)cn1.
What is the InChIKey of 2-[4-(3-amino-2,6-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide?
The InChIKey is KAQMDKRZHAUVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O/c1-18(2)11(20)7-19-6-8(5-17-19)12-9(14)3-4-10(16)13(12)15/h3-6H,7,16H2,1-2H3.
What are the key properties of 2-[4-(3-amino-2,6-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide?
2-[4-(3-amino-2,6-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide has a molecular weight of 280.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-amino-2,6-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 171921652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).