N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine

C15H23N5O — CID 102812782

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cn(C)nc1CC)c1nccnc1OC
InChIInChI=1S/C15H23N5O/c1-5-7-16-13(11-10-20(3)19-12(11)6-2)14-15(21-4)18-9-8-17-14/h8-10,13,16H,5-7H2,1-4H3
InChIKeyCHPWLZWVZCSEOP-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.87
Rot. Bonds7

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

N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine (PubChem CID 102812782) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
PubChem CID102812782
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cn(C)nc1CC)c1nccnc1OC
InChIInChI=1S/C15H23N5O/c1-5-7-16-13(11-10-20(3)19-12(11)6-2)14-15(21-4)18-9-8-17-14/h8-10,13,16H,5-7H2,1-4H3
InChIKeyCHPWLZWVZCSEOP-UHFFFAOYSA-N
XLogP1.87
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105178595
N-[(3-ethyl-4-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 104516047
N-[(3-methoxypyrazin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923780
N-[(4-bromo-2-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105031988
N-[(2-chloro-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105032207
N-[(4,5-dimethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105031771
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 102811930
1-(3-ethyl-1-methylpyrazol-4-yl)-2-methyl-N-propylpentan-1-amine
CID 107893651
N-[(3,4-dimethylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105032115
N-[(2,5-difluorophenyl)-(3-ethyl-1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 102812310
N-[(3-ethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105032074
N-[(5-bromo-3-methyltriazol-4-yl)-(3-ethyl-1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 106465154

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine (CID 102812782) is N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine is CCCNC(c1cn(C)nc1CC)c1nccnc1OC.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
The InChIKey is CHPWLZWVZCSEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-5-7-16-13(11-10-20(3)19-12(11)6-2)14-15(21-4)18-9-8-17-14/h8-10,13,16H,5-7H2,1-4H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 102812782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).