N-[(5-ethyl-4-methyl-2,3-dihydro-1H-pyrazol-3-yl)methyl]-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide

C25H34N4O2 — CID 139419244

IUPACN-[(5-ethyl-4-methyl-2,3-dihydro-1H-pyrazol-3-yl)methyl]-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide
SMILESCCC1=C(C)C(CN(C)C(=O)c2ccc(CCNCC(O)c3ccccc3)cc2)NN1
InChIInChI=1S/C25H34N4O2/c1-4-22-18(2)23(28-27-22)17-29(3)25(31)21-12-10-19(11-13-21)14-15-26-16-24(30)20-8-6-5-7-9-20/h5-13,23-24,26-28,30H,4,14-17H2,1-3H3
InChIKeySREHEVQQKMRXAR-UHFFFAOYSA-N
MW422.57 g/mol
LogP2.78
Rot. Bonds10

About N-[(5-ethyl-4-methyl-2,3-dihydro-1H-pyrazol-3-yl)methyl]-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide

N-[(5-ethyl-4-methyl-2,3-dihydro-1H-pyrazol-3-yl)methyl]-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide (PubChem CID 139419244) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[(5-ethyl-4-methyl-2,3-dihydro-1H-pyrazol-3-yl)methyl]-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(5-ethyl-4-methyl-2,3-dihydro-1H-pyrazol-3-yl)methyl]-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide
PubChem CID139419244
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC NameN-[(5-ethyl-4-methyl-2,3-dihydro-1H-pyrazol-3-yl)methyl]-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide
SMILESCCC1=C(C)C(CN(C)C(=O)c2ccc(CCNCC(O)c3ccccc3)cc2)NN1
InChIInChI=1S/C25H34N4O2/c1-4-22-18(2)23(28-27-22)17-29(3)25(31)21-12-10-19(11-13-21)14-15-26-16-24(30)20-8-6-5-7-9-20/h5-13,23-24,26-28,30H,4,14-17H2,1-3H3
InChIKeySREHEVQQKMRXAR-UHFFFAOYSA-N
XLogP2.78
TPSA76.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(5-ethyl-4-methyl-2,3-dihydro-1H-pyrazol-3-yl)methyl]-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide 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

N-[(4-hydroxy-5-methyl-2,3-dihydro-1H-pyrazol-3-yl)methyl]-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide
CID 144821966
4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methyl-N-[(5-methyl-3-pyridinyl)methyl]benzamide
CID 144821842
4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 123984244
N-[(4-chloro-5-methyl-4,5-dihydro-1H-pyrazol-3-yl)methyl]-4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-N-methylbenzamide
CID 139419289
4-[3-[[(2R)-2-hydroxy-2-phenylethyl]amino]butyl]-N,N-dimethylbenzamide
CID 70429456
methyl 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetate
CID 54411286
1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 112501683
N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-4-[2-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methylbenzamide
CID 123145441
(2R)-2-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenoxy]propanoic acid
CID 67001965
ethane;2-[2-(4-ethenylphenyl)ethylamino]-1-phenylethanol
CID 144821977
4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-3-(2-methylpropyl)benzoic acid;hydrochloride
CID 69102858
4-[2-[[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-[(3-ethoxy-1H-pyrazol-5-yl)methyl]-N-methylbenzamide
CID 139419356

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-4-methyl-2,3-dihydro-1H-pyrazol-3-yl)methyl]-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide?
The IUPAC name of N-[(5-ethyl-4-methyl-2,3-dihydro-1H-pyrazol-3-yl)methyl]-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide (CID 139419244) is N-[(5-ethyl-4-methyl-2,3-dihydro-1H-pyrazol-3-yl)methyl]-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide.
What is the SMILES notation for N-[(5-ethyl-4-methyl-2,3-dihydro-1H-pyrazol-3-yl)methyl]-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide?
The canonical SMILES for N-[(5-ethyl-4-methyl-2,3-dihydro-1H-pyrazol-3-yl)methyl]-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide is CCC1=C(C)C(CN(C)C(=O)c2ccc(CCNCC(O)c3ccccc3)cc2)NN1.
What is the InChIKey of N-[(5-ethyl-4-methyl-2,3-dihydro-1H-pyrazol-3-yl)methyl]-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide?
The InChIKey is SREHEVQQKMRXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-4-22-18(2)23(28-27-22)17-29(3)25(31)21-12-10-19(11-13-21)14-15-26-16-24(30)20-8-6-5-7-9-20/h5-13,23-24,26-28,30H,4,14-17H2,1-3H3.
What are the key properties of N-[(5-ethyl-4-methyl-2,3-dihydro-1H-pyrazol-3-yl)methyl]-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide?
N-[(5-ethyl-4-methyl-2,3-dihydro-1H-pyrazol-3-yl)methyl]-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide has a molecular weight of 422.57 g/mol, XLogP of 2.78, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-4-methyl-2,3-dihydro-1H-pyrazol-3-yl)methyl]-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide is sourced from PubChem (CID 139419244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).