2-[4-(4-amino-2,5-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide

C13H14F2N4O — CID 175670012

IUPAC2-[4-(4-amino-2,5-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(-c2cc(F)c(N)cc2F)cn1
InChIInChI=1S/C13H14F2N4O/c1-18(2)13(20)7-19-6-8(5-17-19)9-3-11(15)12(16)4-10(9)14/h3-6H,7,16H2,1-2H3
InChIKeyDCBJOOADPMXCMM-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.50
Rot. Bonds3

About 2-[4-(4-amino-2,5-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide

2-[4-(4-amino-2,5-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide (PubChem CID 175670012) has the molecular formula C13H14F2N4O and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[4-(4-amino-2,5-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(4-amino-2,5-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide
PubChem CID175670012
Molecular FormulaC13H14F2N4O
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-[4-(4-amino-2,5-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(-c2cc(F)c(N)cc2F)cn1
InChIInChI=1S/C13H14F2N4O/c1-18(2)13(20)7-19-6-8(5-17-19)9-3-11(15)12(16)4-10(9)14/h3-6H,7,16H2,1-2H3
InChIKeyDCBJOOADPMXCMM-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-2,5-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(4-amino-2,5-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide (CID 175670012) is 2-[4-(4-amino-2,5-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(4-amino-2,5-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(4-amino-2,5-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1cc(-c2cc(F)c(N)cc2F)cn1.
What is the InChIKey of 2-[4-(4-amino-2,5-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide?
The InChIKey is DCBJOOADPMXCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O/c1-18(2)13(20)7-19-6-8(5-17-19)9-3-11(15)12(16)4-10(9)14/h3-6H,7,16H2,1-2H3.
What are the key properties of 2-[4-(4-amino-2,5-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide?
2-[4-(4-amino-2,5-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-(4-amino-2,5-difluorophenyl)pyrazol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 175670012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).