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

C20H29FN4O — CID 86911666

IUPAC2-[(4-fluorophenyl)methyl-pentylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCCCCN(CC(=O)Nc1c(C)nn(C)c1C)Cc1ccc(F)cc1
InChIInChI=1S/C20H29FN4O/c1-5-6-7-12-25(13-17-8-10-18(21)11-9-17)14-19(26)22-20-15(2)23-24(4)16(20)3/h8-11H,5-7,12-14H2,1-4H3,(H,22,26)
InChIKeyCWFLNFNOWUJMKD-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.81
Rot. Bonds9

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

2-[(4-fluorophenyl)methyl-pentylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 86911666) has the molecular formula C20H29FN4O and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-pentylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-pentylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID86911666
Molecular FormulaC20H29FN4O
Molecular Weight360.48 g/mol
Exact Mass360.23
IUPAC Name2-[(4-fluorophenyl)methyl-pentylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCCCCN(CC(=O)Nc1c(C)nn(C)c1C)Cc1ccc(F)cc1
InChIInChI=1S/C20H29FN4O/c1-5-6-7-12-25(13-17-8-10-18(21)11-9-17)14-19(26)22-20-15(2)23-24(4)16(20)3/h8-11H,5-7,12-14H2,1-4H3,(H,22,26)
InChIKeyCWFLNFNOWUJMKD-UHFFFAOYSA-N
XLogP3.81
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]methyl]benzamide
CID 9125891
2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-propylamino]-N-propylacetamide
CID 87015037
2-[bis(2-hydroxyethyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60686676
N-(4-acetamidophenyl)-2-[ethyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]acetamide
CID 8791575
N-(3,5-dimethylpyrazolidin-4-yl)-2-[(4-fluorophenyl)methyl-pentylamino]acetamide
CID 52991511
2-[(4-fluorophenyl)methyl-pentylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 112801753
2-[2-aminoethyl(methyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 62687728
2-[pentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-N-(2,4,6-trifluorophenyl)acetamide
CID 12071572
3-[butyl-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 82328171
2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9152681
N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine
CID 6422133
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 8905902

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-pentylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-pentylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 86911666) is 2-[(4-fluorophenyl)methyl-pentylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-pentylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-pentylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is CCCCCN(CC(=O)Nc1c(C)nn(C)c1C)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-pentylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is CWFLNFNOWUJMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4O/c1-5-6-7-12-25(13-17-8-10-18(21)11-9-17)14-19(26)22-20-15(2)23-24(4)16(20)3/h8-11H,5-7,12-14H2,1-4H3,(H,22,26).
What are the key properties of 2-[(4-fluorophenyl)methyl-pentylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[(4-fluorophenyl)methyl-pentylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 360.48 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-pentylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 86911666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).