N-[2-(diethylamino)-3-phenylpropyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide

C26H33FN4O — CID 60509527

IUPACN-[2-(diethylamino)-3-phenylpropyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCCN(CC)C(CNC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C)Cc1ccccc1
InChIInChI=1S/C26H33FN4O/c1-5-30(6-2)24(16-21-10-8-7-9-11-21)18-28-26(32)17-25-19(3)29-31(20(25)4)23-14-12-22(27)13-15-23/h7-15,24H,5-6,16-18H2,1-4H3,(H,28,32)
InChIKeyONVAMKFXDULVMK-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.24
Rot. Bonds10

About N-[2-(diethylamino)-3-phenylpropyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide

N-[2-(diethylamino)-3-phenylpropyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 60509527) has the molecular formula C26H33FN4O and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[2-(diethylamino)-3-phenylpropyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-3-phenylpropyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID60509527
Molecular FormulaC26H33FN4O
Molecular Weight436.58 g/mol
Exact Mass436.26
IUPAC NameN-[2-(diethylamino)-3-phenylpropyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCCN(CC)C(CNC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C)Cc1ccccc1
InChIInChI=1S/C26H33FN4O/c1-5-30(6-2)24(16-21-10-8-7-9-11-21)18-28-26(32)17-25-19(3)29-31(20(25)4)23-14-12-22(27)13-15-23/h7-15,24H,5-6,16-18H2,1-4H3,(H,28,32)
InChIKeyONVAMKFXDULVMK-UHFFFAOYSA-N
XLogP4.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)-3-phenylpropyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 46447663
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55786869
N-[2-(diethylamino)-3-phenylpropyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 43067553
N-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 86997975
N-[2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]-2-methylpropanamide
CID 47044914
3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249342
3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]butanoic acid
CID 119220770
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55761518
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 56891070
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(1-hydroxypropan-2-yl)acetamide
CID 78884101
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55756579
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide
CID 163307933

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 60509527) is N-[2-(diethylamino)-3-phenylpropyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(diethylamino)-3-phenylpropyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-[2-(diethylamino)-3-phenylpropyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide is CCN(CC)C(CNC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C)Cc1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-3-phenylpropyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is ONVAMKFXDULVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN4O/c1-5-30(6-2)24(16-21-10-8-7-9-11-21)18-28-26(32)17-25-19(3)29-31(20(25)4)23-14-12-22(27)13-15-23/h7-15,24H,5-6,16-18H2,1-4H3,(H,28,32).
What are the key properties of N-[2-(diethylamino)-3-phenylpropyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-[2-(diethylamino)-3-phenylpropyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 436.58 g/mol, XLogP of 4.24, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-3-phenylpropyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 60509527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).