2-methyl-N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine

C16H24N4O — CID 102999863

IUPAC2-methyl-N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine
SMILESCn1nccc1CCOc1ccc(CNC(C)(C)C)nc1
InChIInChI=1S/C16H24N4O/c1-16(2,3)18-11-13-5-6-15(12-17-13)21-10-8-14-7-9-19-20(14)4/h5-7,9,12,18H,8,10-11H2,1-4H3
InChIKeyBRCUQBGNRIDQQY-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.32
Rot. Bonds6

About 2-methyl-N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine

2-methyl-N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine (PubChem CID 102999863) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-methyl-N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine
PubChem CID102999863
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-methyl-N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine
SMILESCn1nccc1CCOc1ccc(CNC(C)(C)C)nc1
InChIInChI=1S/C16H24N4O/c1-16(2,3)18-11-13-5-6-15(12-17-13)21-10-8-14-7-9-19-20(14)4/h5-7,9,12,18H,8,10-11H2,1-4H3
InChIKeyBRCUQBGNRIDQQY-UHFFFAOYSA-N
XLogP2.32
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 102999859
2-methyl-N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79794362
2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 102999751
N-[[5-(4-methoxybutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 104647123
2-methyl-N-[[5-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79794003
N-[[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79788512
4-[2-(2-methylpyrazol-3-yl)ethoxy]benzaldehyde
CID 103002817
(1S)-1-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]propan-1-amine
CID 102999817
N-tert-butyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014276
N-[[5-(2-ethylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 82927537
3-methyl-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenol
CID 107680067
3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-ethylpropanamide
CID 79784063

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine (CID 102999863) is 2-methyl-N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine is Cn1nccc1CCOc1ccc(CNC(C)(C)C)nc1.
What is the InChIKey of 2-methyl-N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is BRCUQBGNRIDQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-16(2,3)18-11-13-5-6-15(12-17-13)21-10-8-14-7-9-19-20(14)4/h5-7,9,12,18H,8,10-11H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine?
2-methyl-N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 288.39 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 102999863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).