N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]propan-1-amine

C18H27N3 — CID 115995433

IUPACN-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]propan-1-amine
SMILESCCNC(CC)c1ccccc1-n1nc(C)c(CC)c1C
InChIInChI=1S/C18H27N3/c1-6-15-13(4)20-21(14(15)5)18-12-10-9-11-16(18)17(7-2)19-8-3/h9-12,17,19H,6-8H2,1-5H3
InChIKeyKFZHQRBHUCWMNG-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.11
Rot. Bonds6

About N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]propan-1-amine

N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]propan-1-amine (PubChem CID 115995433) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]propan-1-amine
PubChem CID115995433
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]propan-1-amine
SMILESCCNC(CC)c1ccccc1-n1nc(C)c(CC)c1C
InChIInChI=1S/C18H27N3/c1-6-15-13(4)20-21(14(15)5)18-12-10-9-11-16(18)17(7-2)19-8-3/h9-12,17,19H,6-8H2,1-5H3
InChIKeyKFZHQRBHUCWMNG-UHFFFAOYSA-N
XLogP4.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]propan-1-amine 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

1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylpropan-1-amine
CID 115995440
N-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 61238667
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 61238668
1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylethanamine
CID 62129570
N-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine
CID 112678294
4-(chloromethyl)-3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole
CID 82091044
[3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]methanamine
CID 82085269
1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 61237598
1-(2,3-dichlorophenyl)-4-ethyl-3,5-dimethylpyrazole
CID 50888272
1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112677754
1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-6-fluorophenyl]ethanol
CID 61237972
1-[2-(4,5-dimethylimidazol-1-yl)phenyl]-N-propylpropan-1-amine
CID 115995444

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]propan-1-amine?
The IUPAC name of N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]propan-1-amine (CID 115995433) is N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]propan-1-amine is CCNC(CC)c1ccccc1-n1nc(C)c(CC)c1C.
What is the InChIKey of N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]propan-1-amine?
The InChIKey is KFZHQRBHUCWMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-6-15-13(4)20-21(14(15)5)18-12-10-9-11-16(18)17(7-2)19-8-3/h9-12,17,19H,6-8H2,1-5H3.
What are the key properties of N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]propan-1-amine?
N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]propan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 115995433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).