2-(diethylamino)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-phenylacetamide

C24H29FN4O — CID 56549901

IUPAC2-(diethylamino)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-phenylacetamide
SMILESCCN(CC)C(C(=O)NC(C)c1cnn(-c2ccc(F)cc2)c1C)c1ccccc1
InChIInChI=1S/C24H29FN4O/c1-5-28(6-2)23(19-10-8-7-9-11-19)24(30)27-17(3)22-16-26-29(18(22)4)21-14-12-20(25)13-15-21/h7-17,23H,5-6H2,1-4H3,(H,27,30)
InChIKeyWTWIZJMEMGHZBV-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.58
Rot. Bonds8

About 2-(diethylamino)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-phenylacetamide

2-(diethylamino)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-phenylacetamide (PubChem CID 56549901) has the molecular formula C24H29FN4O and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-(diethylamino)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-phenylacetamide
PubChem CID56549901
Molecular FormulaC24H29FN4O
Molecular Weight408.52 g/mol
Exact Mass408.23
IUPAC Name2-(diethylamino)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-phenylacetamide
SMILESCCN(CC)C(C(=O)NC(C)c1cnn(-c2ccc(F)cc2)c1C)c1ccccc1
InChIInChI=1S/C24H29FN4O/c1-5-28(6-2)23(19-10-8-7-9-11-19)24(30)27-17(3)22-16-26-29(18(22)4)21-14-12-20(25)13-15-21/h7-17,23H,5-6H2,1-4H3,(H,27,30)
InChIKeyWTWIZJMEMGHZBV-UHFFFAOYSA-N
XLogP4.58
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-phenylacetamide?
The IUPAC name of 2-(diethylamino)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-phenylacetamide (CID 56549901) is 2-(diethylamino)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-phenylacetamide.
What is the SMILES notation for 2-(diethylamino)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-phenylacetamide?
The canonical SMILES for 2-(diethylamino)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-phenylacetamide is CCN(CC)C(C(=O)NC(C)c1cnn(-c2ccc(F)cc2)c1C)c1ccccc1.
What is the InChIKey of 2-(diethylamino)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-phenylacetamide?
The InChIKey is WTWIZJMEMGHZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O/c1-5-28(6-2)23(19-10-8-7-9-11-19)24(30)27-17(3)22-16-26-29(18(22)4)21-14-12-20(25)13-15-21/h7-17,23H,5-6H2,1-4H3,(H,27,30).
What are the key properties of 2-(diethylamino)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-phenylacetamide?
2-(diethylamino)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-phenylacetamide has a molecular weight of 408.52 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-phenylacetamide is sourced from PubChem (CID 56549901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).