N-[1-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine

C15H22N4O — CID 105114314

IUPACN-[1-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cnn(C)c1)c1cccnc1OC
InChIInChI=1S/C15H22N4O/c1-4-7-16-14(9-12-10-18-19(2)11-12)13-6-5-8-17-15(13)20-3/h5-6,8,10-11,14,16H,4,7,9H2,1-3H3
InChIKeyQJOSFAXTZIUWHY-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.11
Rot. Bonds7

About N-[1-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine

N-[1-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 105114314) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[1-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID105114314
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[1-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cnn(C)c1)c1cccnc1OC
InChIInChI=1S/C15H22N4O/c1-4-7-16-14(9-12-10-18-19(2)11-12)13-6-5-8-17-15(13)20-3/h5-6,8,10-11,14,16H,4,7,9H2,1-3H3
InChIKeyQJOSFAXTZIUWHY-UHFFFAOYSA-N
XLogP2.11
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029786
N-[1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 115821504
N-[1-(2-methoxy-3-pyridinyl)-2-pyridin-2-ylethyl]propan-1-amine
CID 105158151
N-[2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 114878627
N-[2-(1-methylpyrazol-4-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105113854
1-(2-methoxy-3-pyridinyl)-N-propylheptan-1-amine
CID 105126504
4-methoxy-1-(2-methoxy-3-pyridinyl)-4-methyl-N-propylpentan-1-amine
CID 103031708
2-(3,5-dimethylphenyl)-N-ethyl-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105099080
N-[1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62551417
N-[1-(5-chlorofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 106691620
1-(2,3-dimethylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103030048
N-[cyclohexyl-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105080054

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine (CID 105114314) is N-[1-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1cnn(C)c1)c1cccnc1OC.
What is the InChIKey of N-[1-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is QJOSFAXTZIUWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-7-16-14(9-12-10-18-19(2)11-12)13-6-5-8-17-15(13)20-3/h5-6,8,10-11,14,16H,4,7,9H2,1-3H3.
What are the key properties of N-[1-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
N-[1-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 274.37 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105114314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).