N-[3-(diethylamino)propyl]-2-(3,4-diphenylpyrazol-1-yl)propanamide

C25H32N4O — CID 14699597

IUPACN-[3-(diethylamino)propyl]-2-(3,4-diphenylpyrazol-1-yl)propanamide
SMILESCCN(CC)CCCNC(=O)C(C)n1cc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C25H32N4O/c1-4-28(5-2)18-12-17-26-25(30)20(3)29-19-23(21-13-8-6-9-14-21)24(27-29)22-15-10-7-11-16-22/h6-11,13-16,19-20H,4-5,12,17-18H2,1-3H3,(H,26,30)
InChIKeyGAYHMWYWJRDYDA-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.63
Rot. Bonds10

About N-[3-(diethylamino)propyl]-2-(3,4-diphenylpyrazol-1-yl)propanamide

N-[3-(diethylamino)propyl]-2-(3,4-diphenylpyrazol-1-yl)propanamide (PubChem CID 14699597) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-(3,4-diphenylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-(3,4-diphenylpyrazol-1-yl)propanamide
PubChem CID14699597
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC NameN-[3-(diethylamino)propyl]-2-(3,4-diphenylpyrazol-1-yl)propanamide
SMILESCCN(CC)CCCNC(=O)C(C)n1cc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C25H32N4O/c1-4-28(5-2)18-12-17-26-25(30)20(3)29-19-23(21-13-8-6-9-14-21)24(27-29)22-15-10-7-11-16-22/h6-11,13-16,19-20H,4-5,12,17-18H2,1-3H3,(H,26,30)
InChIKeyGAYHMWYWJRDYDA-UHFFFAOYSA-N
XLogP4.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.63
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-(3,4-diphenylpyrazol-1-yl)propanamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-(3,4-diphenylpyrazol-1-yl)propanamide (CID 14699597) is N-[3-(diethylamino)propyl]-2-(3,4-diphenylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-(3,4-diphenylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-(3,4-diphenylpyrazol-1-yl)propanamide is CCN(CC)CCCNC(=O)C(C)n1cc(-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-(3,4-diphenylpyrazol-1-yl)propanamide?
The InChIKey is GAYHMWYWJRDYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-4-28(5-2)18-12-17-26-25(30)20(3)29-19-23(21-13-8-6-9-14-21)24(27-29)22-15-10-7-11-16-22/h6-11,13-16,19-20H,4-5,12,17-18H2,1-3H3,(H,26,30).
What are the key properties of N-[3-(diethylamino)propyl]-2-(3,4-diphenylpyrazol-1-yl)propanamide?
N-[3-(diethylamino)propyl]-2-(3,4-diphenylpyrazol-1-yl)propanamide has a molecular weight of 404.56 g/mol, XLogP of 4.63, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-(3,4-diphenylpyrazol-1-yl)propanamide is sourced from PubChem (CID 14699597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).