N-[4-(diethylamino)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide

C18H26N4O — CID 19553830

IUPACN-[4-(diethylamino)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCn2nc(C)cc2C)cc1
InChIInChI=1S/C18H26N4O/c1-5-21(6-2)17-9-7-16(8-10-17)19-18(23)11-12-22-15(4)13-14(3)20-22/h7-10,13H,5-6,11-12H2,1-4H3,(H,19,23)
InChIKeyXOAJFDZDPYFSRK-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.37
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide

N-[4-(diethylamino)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 19553830) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID19553830
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-[4-(diethylamino)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCn2nc(C)cc2C)cc1
InChIInChI=1S/C18H26N4O/c1-5-21(6-2)17-9-7-16(8-10-17)19-18(23)11-12-22-15(4)13-14(3)20-22/h7-10,13H,5-6,11-12H2,1-4H3,(H,19,23)
InChIKeyXOAJFDZDPYFSRK-UHFFFAOYSA-N
XLogP3.37
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(diethylamino)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide
CID 39730494
3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide
CID 15943466
N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553862
3-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19553877
2-[3-[4-(diethylamino)anilino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492024
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 30659870
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
CID 19553824
N-[[4-(dimethylamino)phenyl]methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 917196
N-[4-(diethylamino)phenyl]-2-(ethylamino)acetamide
CID 60641172
4-[4-(diethylamino)anilino]-4-oxobutanoic acid
CID 722023
N-[4-(diethylamino)phenyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19522697
N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 16786199

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide (CID 19553830) is N-[4-(diethylamino)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide is CCN(CC)c1ccc(NC(=O)CCn2nc(C)cc2C)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is XOAJFDZDPYFSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-5-21(6-2)17-9-7-16(8-10-17)19-18(23)11-12-22-15(4)13-14(3)20-22/h7-10,13H,5-6,11-12H2,1-4H3,(H,19,23).
What are the key properties of N-[4-(diethylamino)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
N-[4-(diethylamino)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 314.43 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19553830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).