N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxy-N-(pyridin-2-ylmethyl)ethanamine

C17H26N4O — CID 46991461

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxy-N-(pyridin-2-ylmethyl)ethanamine
SMILESCCn1nc(C)c(CN(CCOC)Cc2ccccn2)c1C
InChIInChI=1S/C17H26N4O/c1-5-21-15(3)17(14(2)19-21)13-20(10-11-22-4)12-16-8-6-7-9-18-16/h6-9H,5,10-13H2,1-4H3
InChIKeyDOZIZTVXAITBIN-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.56
Rot. Bonds8

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxy-N-(pyridin-2-ylmethyl)ethanamine

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxy-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 46991461) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxy-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxy-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID46991461
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxy-N-(pyridin-2-ylmethyl)ethanamine
SMILESCCn1nc(C)c(CN(CCOC)Cc2ccccn2)c1C
InChIInChI=1S/C17H26N4O/c1-5-21-15(3)17(14(2)19-21)13-20(10-11-22-4)12-16-8-6-7-9-18-16/h6-9H,5,10-13H2,1-4H3
InChIKeyDOZIZTVXAITBIN-UHFFFAOYSA-N
XLogP2.56
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-((3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-phenylpiperazine
CID 44412182
3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
CID 137631806
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 16188428
2-{2-[4-(1-tert-butyl-1H-pyrazol-4-yl)-3,6-dihydropyridin-1(2H)-yl]ethyl}pyridine
CID 50978449
1-Methyl-4-[4-(4-pyridin-4-ylpyrazol-1-yl)phenyl]piperazine
CID 127051102
2-(2-Methylpyrazol-3-yl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137644314
2-(1-Methylpyrazol-4-yl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137658011
1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-amine
CID 54581685
N-methyl-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]methanamine
CID 6899954
N-[(E)-(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-N-(4-morpholinyl)amine
CID 9553542
3-(4-Methyl-piperazin-1-ylmethyl)-pyrazolo[1,5-a]pyridine
CID 44264641
4-[5-(4-Fluorophenyl)-2-(2-methoxyethyl)triazol-4-yl]pyridine
CID 44290408

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxy-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxy-N-(pyridin-2-ylmethyl)ethanamine (CID 46991461) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxy-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxy-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxy-N-(pyridin-2-ylmethyl)ethanamine is CCn1nc(C)c(CN(CCOC)Cc2ccccn2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxy-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is DOZIZTVXAITBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-5-21-15(3)17(14(2)19-21)13-20(10-11-22-4)12-16-8-6-7-9-18-16/h6-9H,5,10-13H2,1-4H3.
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxy-N-(pyridin-2-ylmethyl)ethanamine?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxy-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 302.42 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxy-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 46991461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).