N-[2-(diethylamino)-3-phenylpropyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide

C24H38N4O — CID 46447663

IUPACN-[2-(diethylamino)-3-phenylpropyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
SMILESCCN(CC)C(CNC(=O)Cc1c(C)nn(CC(C)C)c1C)Cc1ccccc1
InChIInChI=1S/C24H38N4O/c1-7-27(8-2)22(14-21-12-10-9-11-13-21)16-25-24(29)15-23-19(5)26-28(20(23)6)17-18(3)4/h9-13,18,22H,7-8,14-17H2,1-6H3,(H,25,29)
InChIKeyFWEKMHZBURXYIL-UHFFFAOYSA-N
MW398.60 g/mol
LogP3.77
Rot. Bonds11

About N-[2-(diethylamino)-3-phenylpropyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide

N-[2-(diethylamino)-3-phenylpropyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide (PubChem CID 46447663) has the molecular formula C24H38N4O and a molecular weight of 398.60 g/mol. Its IUPAC name is N-[2-(diethylamino)-3-phenylpropyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-3-phenylpropyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
PubChem CID46447663
Molecular FormulaC24H38N4O
Molecular Weight398.60 g/mol
Exact Mass398.30
IUPAC NameN-[2-(diethylamino)-3-phenylpropyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
SMILESCCN(CC)C(CNC(=O)Cc1c(C)nn(CC(C)C)c1C)Cc1ccccc1
InChIInChI=1S/C24H38N4O/c1-7-27(8-2)22(14-21-12-10-9-11-13-21)16-25-24(29)15-23-19(5)26-28(20(23)6)17-18(3)4/h9-13,18,22H,7-8,14-17H2,1-6H3,(H,25,29)
InChIKeyFWEKMHZBURXYIL-UHFFFAOYSA-N
XLogP3.77
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.60
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)-2-phenylethyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 46446709
N-[2-(diethylamino)-3-phenylpropyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 60509527
N-[2-(diethylamino)-3-phenylpropyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 43067553
(2R)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-2-phenylacetic acid
CID 119367917
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylethyl)acetamide
CID 46652170
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(N-methylanilino)propyl]acetamide
CID 134061320
(2R)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-2-phenylacetamide
CID 40895953
2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 37245468
2-[2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]phenyl]acetic acid
CID 119218316
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 51926830
N-[2-(diethylamino)-3-phenylpropyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43067463
N-(3-aminobutyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride
CID 119497602

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide?
The IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide (CID 46447663) is N-[2-(diethylamino)-3-phenylpropyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(diethylamino)-3-phenylpropyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide?
The canonical SMILES for N-[2-(diethylamino)-3-phenylpropyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide is CCN(CC)C(CNC(=O)Cc1c(C)nn(CC(C)C)c1C)Cc1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-3-phenylpropyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide?
The InChIKey is FWEKMHZBURXYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O/c1-7-27(8-2)22(14-21-12-10-9-11-13-21)16-25-24(29)15-23-19(5)26-28(20(23)6)17-18(3)4/h9-13,18,22H,7-8,14-17H2,1-6H3,(H,25,29).
What are the key properties of N-[2-(diethylamino)-3-phenylpropyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide?
N-[2-(diethylamino)-3-phenylpropyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide has a molecular weight of 398.60 g/mol, XLogP of 3.77, 11 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-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 46447663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).