1-[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]-N-ethylpropan-1-amine

C18H35N3 — CID 82926182

IUPAC1-[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1c(CC)nn(CC(CC)CC)c1CC
InChIInChI=1S/C18H35N3/c1-7-14(8-2)13-21-17(11-5)18(16(10-4)20-21)15(9-3)19-12-6/h14-15,19H,7-13H2,1-6H3
InChIKeyMRBLHNNRFLMMBB-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.50
Rot. Bonds10

About 1-[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]-N-ethylpropan-1-amine

1-[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]-N-ethylpropan-1-amine (PubChem CID 82926182) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]-N-ethylpropan-1-amine
PubChem CID82926182
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name1-[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1c(CC)nn(CC(CC)CC)c1CC
InChIInChI=1S/C18H35N3/c1-7-14(8-2)13-21-17(11-5)18(16(10-4)20-21)15(9-3)19-12-6/h14-15,19H,7-13H2,1-6H3
InChIKeyMRBLHNNRFLMMBB-UHFFFAOYSA-N
XLogP4.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]-N-ethylpropan-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-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-ethylpropan-1-amine
CID 82700574
1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 104649625
1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine
CID 82700734
1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine
CID 82700738
1-(1-benzyl-3,5-diethylpyrazol-4-yl)-N-propylpropan-1-amine
CID 82700730
1-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 82697642
N-[[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]methyl]propan-1-amine
CID 82924251
1-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]-N-methylpropan-1-amine
CID 82696841
1-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-methylethanamine
CID 82697714
N-ethyl-1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 63514038
N-[1-[1-(2,2-difluoroethyl)-3,5-diethylpyrazol-4-yl]ethyl]propan-1-amine
CID 82697652
1-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 116618001

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]-N-ethylpropan-1-amine (CID 82926182) is 1-[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]-N-ethylpropan-1-amine is CCNC(CC)c1c(CC)nn(CC(CC)CC)c1CC.
What is the InChIKey of 1-[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
The InChIKey is MRBLHNNRFLMMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-7-14(8-2)13-21-17(11-5)18(16(10-4)20-21)15(9-3)19-12-6/h14-15,19H,7-13H2,1-6H3.
What are the key properties of 1-[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
1-[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]-N-ethylpropan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 4.50, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 82926182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).