N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-nitrophenyl)ethanamine

C15H20N4O2 — CID 115885467

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-nitrophenyl)ethanamine
SMILESCCc1nn(C)cc1CNC(C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H20N4O2/c1-4-15-13(10-18(3)17-15)9-16-11(2)12-6-5-7-14(8-12)19(20)21/h5-8,10-11,16H,4,9H2,1-3H3
InChIKeyYGDGGIIJVINTFP-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.74
Rot. Bonds6

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-nitrophenyl)ethanamine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-nitrophenyl)ethanamine (PubChem CID 115885467) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-nitrophenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-nitrophenyl)ethanamine
PubChem CID115885467
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-nitrophenyl)ethanamine
SMILESCCc1nn(C)cc1CNC(C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H20N4O2/c1-4-15-13(10-18(3)17-15)9-16-11(2)12-6-5-7-14(8-12)19(20)21/h5-8,10-11,16H,4,9H2,1-3H3
InChIKeyYGDGGIIJVINTFP-UHFFFAOYSA-N
XLogP2.74
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-nitrophenyl)ethanamine 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-ethylphenyl)methyl]-1-(3-nitrophenyl)ethanamine
CID 60943582
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(4-nitrophenyl)ethanamine
CID 115989337
N-[(1R)-1-(3-nitrophenyl)ethyl]propan-1-amine
CID 28608665
N-[(1S)-1-(3-nitrophenyl)ethyl]propan-1-amine
CID 28608661
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 112549296
N-[(2-bromophenyl)methyl]-1-(3-nitrophenyl)ethanamine
CID 60942332
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 115885783
N-[1-(3-nitrophenyl)ethyl]butan-1-amine
CID 43180605
N-[(1-methylpyrrol-2-yl)methyl]-1-(3-nitrophenyl)ethanamine
CID 62131512
N-[(2-methoxyphenyl)methyl]-1-(3-nitrophenyl)ethanamine
CID 43180569
6-methyl-2-[[1-(3-nitrophenyl)ethylamino]methyl]pyridin-3-ol
CID 78928473
2-[1-(3-nitrophenyl)ethylamino]ethanol
CID 43089007

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-nitrophenyl)ethanamine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-nitrophenyl)ethanamine (CID 115885467) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-nitrophenyl)ethanamine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-nitrophenyl)ethanamine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-nitrophenyl)ethanamine is CCc1nn(C)cc1CNC(C)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-nitrophenyl)ethanamine?
The InChIKey is YGDGGIIJVINTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-15-13(10-18(3)17-15)9-16-11(2)12-6-5-7-14(8-12)19(20)21/h5-8,10-11,16H,4,9H2,1-3H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-nitrophenyl)ethanamine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-nitrophenyl)ethanamine has a molecular weight of 288.35 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-nitrophenyl)ethanamine is sourced from PubChem (CID 115885467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).