2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide

C14H17FN4O — CID 115289693

IUPAC2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
SMILESCN(Cc1cccc(F)c1)C(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C14H17FN4O/c1-18(8-10-4-3-5-12(15)6-10)14(20)13(16)11-7-17-19(2)9-11/h3-7,9,13H,8,16H2,1-2H3
InChIKeyIFYMWHVCQDFIAN-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.22
Rot. Bonds4

About 2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide

2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 115289693) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID115289693
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
SMILESCN(Cc1cccc(F)c1)C(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C14H17FN4O/c1-18(8-10-4-3-5-12(15)6-10)14(20)13(16)11-7-17-19(2)9-11/h3-7,9,13H,8,16H2,1-2H3
InChIKeyIFYMWHVCQDFIAN-UHFFFAOYSA-N
XLogP1.22
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115289817
2-amino-3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 115179409
2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 43211988
2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115290169
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 28802517
2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 43211990
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate
CID 55998949
3-amino-N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylpropanamide
CID 106111202
2-amino-N-methyl-2-(1-methylpyrazol-4-yl)-N-(2-methylsulfanylethyl)acetamide
CID 112658924
4-amino-5-[(3-fluorophenyl)methyl-methylamino]-5-oxopentanoic acid
CID 64895214
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide
CID 103830963

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide (CID 115289693) is 2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide is CN(Cc1cccc(F)c1)C(=O)C(N)c1cnn(C)c1.
What is the InChIKey of 2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is IFYMWHVCQDFIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-18(8-10-4-3-5-12(15)6-10)14(20)13(16)11-7-17-19(2)9-11/h3-7,9,13H,8,16H2,1-2H3.
What are the key properties of 2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 276.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 115289693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).