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

C15H22N4O — CID 102999859

IUPACN-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCCc2ccnn2C)cn1
InChIInChI=1S/C15H22N4O/c1-12(2)16-10-13-4-5-15(11-17-13)20-9-7-14-6-8-18-19(14)3/h4-6,8,11-12,16H,7,9-10H2,1-3H3
InChIKeyJXITYUXZXMRKOH-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.93
Rot. Bonds7

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

N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine (PubChem CID 102999859) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine
PubChem CID102999859
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCCc2ccnn2C)cn1
InChIInChI=1S/C15H22N4O/c1-12(2)16-10-13-4-5-15(11-17-13)20-9-7-14-6-8-18-19(14)3/h4-6,8,11-12,16H,7,9-10H2,1-3H3
InChIKeyJXITYUXZXMRKOH-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 102999863
N-[[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 103000028
N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79782097
N-[[5-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79784006
(1S)-1-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]propan-1-amine
CID 102999817
N-[[5-(2,2-difluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79782331
N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79782732
N-[[5-[2-(trifluoromethylsulfanyl)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 116615138
butyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetate
CID 79782868
N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79781711
4-[2-(2-methylpyrazol-3-yl)ethoxy]benzaldehyde
CID 103002817
N-[[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine
CID 79781881

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine (CID 102999859) is N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccc(OCCc2ccnn2C)cn1.
What is the InChIKey of N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is JXITYUXZXMRKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12(2)16-10-13-4-5-15(11-17-13)20-9-7-14-6-8-18-19(14)3/h4-6,8,11-12,16H,7,9-10H2,1-3H3.
What are the key properties of N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine?
N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 274.37 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 102999859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).