2-[(4-fluorophenyl)methyl-methylamino]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide

C18H25FN4O — CID 118783624

IUPAC2-[(4-fluorophenyl)methyl-methylamino]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
SMILESCc1nn(C)c(C)c1C(C)NC(=O)CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C18H25FN4O/c1-12(18-13(2)21-23(5)14(18)3)20-17(24)11-22(4)10-15-6-8-16(19)9-7-15/h6-9,12H,10-11H2,1-5H3,(H,20,24)
InChIKeyIJCRAIMKSWWIOT-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.49
Rot. Bonds6

About 2-[(4-fluorophenyl)methyl-methylamino]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide

2-[(4-fluorophenyl)methyl-methylamino]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide (PubChem CID 118783624) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-methylamino]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-methylamino]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
PubChem CID118783624
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name2-[(4-fluorophenyl)methyl-methylamino]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
SMILESCc1nn(C)c(C)c1C(C)NC(=O)CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C18H25FN4O/c1-12(18-13(2)21-23(5)14(18)3)20-17(24)11-22(4)10-15-6-8-16(19)9-7-15/h6-9,12H,10-11H2,1-5H3,(H,20,24)
InChIKeyIJCRAIMKSWWIOT-UHFFFAOYSA-N
XLogP2.49
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 95588665
2-[(4-fluorophenyl)methyl-methylamino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 55411329
2-(3-methoxyphenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 95588667
N-methyl-4-[[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]methyl]benzamide
CID 9125891
2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide
CID 78791314
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251798
2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9251733
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251801
2-(1-methylpiperidin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 166224937
2-[(4-fluorophenyl)methyl-pentylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86911666
N-(2-butan-2-yl-5-methylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 134705374
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 8594865

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide (CID 118783624) is 2-[(4-fluorophenyl)methyl-methylamino]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-methylamino]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-methylamino]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide is Cc1nn(C)c(C)c1C(C)NC(=O)CN(C)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-methylamino]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is IJCRAIMKSWWIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O/c1-12(18-13(2)21-23(5)14(18)3)20-17(24)11-22(4)10-15-6-8-16(19)9-7-15/h6-9,12H,10-11H2,1-5H3,(H,20,24).
What are the key properties of 2-[(4-fluorophenyl)methyl-methylamino]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
2-[(4-fluorophenyl)methyl-methylamino]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 332.42 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-methylamino]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 118783624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).