2-(4-aminopyrazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide

C13H15FN4O — CID 43574113

IUPAC2-(4-aminopyrazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)Cn1cc(N)cn1
InChIInChI=1S/C13H15FN4O/c1-17(7-10-2-4-11(14)5-3-10)13(19)9-18-8-12(15)6-16-18/h2-6,8H,7,9,15H2,1H3
InChIKeyTXSRWVNGNIFCDW-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.26
Rot. Bonds4

About 2-(4-aminopyrazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide

2-(4-aminopyrazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 43574113) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
PubChem CID43574113
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name2-(4-aminopyrazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)Cn1cc(N)cn1
InChIInChI=1S/C13H15FN4O/c1-17(7-10-2-4-11(14)5-3-10)13(19)9-18-8-12(15)6-16-18/h2-6,8H,7,9,15H2,1H3
InChIKeyTXSRWVNGNIFCDW-UHFFFAOYSA-N
XLogP1.26
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminopyrazol-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 61116908
2-(4-aminopyrazol-1-yl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide
CID 61105027
2-(4-aminopyrazol-1-yl)-N-methyl-N-(2-methylpropyl)acetamide
CID 43445500
2-(4-aminopyrazol-1-yl)-N-[(5-bromofuran-2-yl)methyl]-N-methylacetamide
CID 61108813
2-(4-aminopyrazol-1-yl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 61116906
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
N-[(4-aminophenyl)methyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 43458116
2-(4-aminopyrazol-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 61116168
5-amino-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 115330494
5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81316642
2-(4-aminophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 10085503
2-(4-aminopyrazol-1-yl)-N-methyl-N-(2-propan-2-yloxyethyl)acetamide
CID 81053268

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide (CID 43574113) is 2-(4-aminopyrazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1ccc(F)cc1)C(=O)Cn1cc(N)cn1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is TXSRWVNGNIFCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-17(7-10-2-4-11(14)5-3-10)13(19)9-18-8-12(15)6-16-18/h2-6,8H,7,9,15H2,1H3.
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
2-(4-aminopyrazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 262.29 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 43574113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).