N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide

C16H22N4O2 — CID 60607724

IUPACN-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccn(CCN(C)C)n1
InChIInChI=1S/C16H22N4O2/c1-13(22-14-7-5-4-6-8-14)16(21)17-15-9-10-20(18-15)12-11-19(2)3/h4-10,13H,11-12H2,1-3H3,(H,17,18,21)
InChIKeyRUJZXWVBVFYGAZ-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.85
Rot. Bonds7

About N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide

N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide (PubChem CID 60607724) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide
PubChem CID60607724
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccn(CCN(C)C)n1
InChIInChI=1S/C16H22N4O2/c1-13(22-14-7-5-4-6-8-14)16(21)17-15-9-10-20(18-15)12-11-19(2)3/h4-10,13H,11-12H2,1-3H3,(H,17,18,21)
InChIKeyRUJZXWVBVFYGAZ-UHFFFAOYSA-N
XLogP1.85
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide 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

(2S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide
CID 95685516
tert-butyl N-[(2R)-1-[[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]carbamate
CID 60622726
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide
CID 119946927
4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride
CID 120565170
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenylpropanamide
CID 120596230
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride
CID 119946926
2-(3-bromophenoxy)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]propanamide
CID 110279319
2-(4-bromophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide
CID 55547798
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(4-hydroxy-1-phenylbutyl)urea
CID 111475375
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea
CID 111475349
2-(4-bromophenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 2970557
2-(4-chloro-2-fluorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-hydroxyacetamide
CID 139008887

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide (CID 60607724) is N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)Nc1ccn(CCN(C)C)n1.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide?
The InChIKey is RUJZXWVBVFYGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-13(22-14-7-5-4-6-8-14)16(21)17-15-9-10-20(18-15)12-11-19(2)3/h4-10,13H,11-12H2,1-3H3,(H,17,18,21).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide?
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide has a molecular weight of 302.38 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide is sourced from PubChem (CID 60607724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).