2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine

C15H25N5 — CID 114532016

IUPAC2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine
SMILESCCNCCc1c(C)nn(CCc2nccn2C)c1C
InChIInChI=1S/C15H25N5/c1-5-16-8-6-14-12(2)18-20(13(14)3)10-7-15-17-9-11-19(15)4/h9,11,16H,5-8,10H2,1-4H3
InChIKeyICKAWRGIAPSVLX-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.63
Rot. Bonds7

About 2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine

2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine (PubChem CID 114532016) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine
PubChem CID114532016
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine
SMILESCCNCCc1c(C)nn(CCc2nccn2C)c1C
InChIInChI=1S/C15H25N5/c1-5-16-8-6-14-12(2)18-20(13(14)3)10-7-15-17-9-11-19(15)4/h9,11,16H,5-8,10H2,1-4H3
InChIKeyICKAWRGIAPSVLX-UHFFFAOYSA-N
XLogP1.63
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine
CID 114532019
4-iodo-3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole
CID 114532902
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 61214559
N-ethyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 114528215
methanamine;1-methyl-2-propylimidazole
CID 164902083
N-[[3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66403432
N-ethyl-2-[1-[3-(2-methoxyethoxy)propyl]-3,5-dimethylpyrazol-4-yl]ethanamine
CID 103413495
N-[2-[3,5-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 103015723
azane;1-methyl-2-propylimidazole
CID 174525892
2-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine
CID 65165295
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612667

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine?
The IUPAC name of 2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine (CID 114532016) is 2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine?
The canonical SMILES for 2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine is CCNCCc1c(C)nn(CCc2nccn2C)c1C.
What is the InChIKey of 2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine?
The InChIKey is ICKAWRGIAPSVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-5-16-8-6-14-12(2)18-20(13(14)3)10-7-15-17-9-11-19(15)4/h9,11,16H,5-8,10H2,1-4H3.
What are the key properties of 2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine?
2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine has a molecular weight of 275.40 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine is sourced from PubChem (CID 114532016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).