N-[[1-methyl-3-(3-methylpyrazin-2-yl)pyrazol-4-yl]methyl]ethanamine

C12H17N5 — CID 114080517

IUPACN-[[1-methyl-3-(3-methylpyrazin-2-yl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(C)nc1-c1nccnc1C
InChIInChI=1S/C12H17N5/c1-4-13-7-10-8-17(3)16-12(10)11-9(2)14-5-6-15-11/h5-6,8,13H,4,7H2,1-3H3
InChIKeyQHVOLNGTKLYZDV-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.30
Rot. Bonds4

About N-[[1-methyl-3-(3-methylpyrazin-2-yl)pyrazol-4-yl]methyl]ethanamine

N-[[1-methyl-3-(3-methylpyrazin-2-yl)pyrazol-4-yl]methyl]ethanamine (PubChem CID 114080517) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[[1-methyl-3-(3-methylpyrazin-2-yl)pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-methyl-3-(3-methylpyrazin-2-yl)pyrazol-4-yl]methyl]ethanamine
PubChem CID114080517
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-[[1-methyl-3-(3-methylpyrazin-2-yl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(C)nc1-c1nccnc1C
InChIInChI=1S/C12H17N5/c1-4-13-7-10-8-17(3)16-12(10)11-9(2)14-5-6-15-11/h5-6,8,13H,4,7H2,1-3H3
InChIKeyQHVOLNGTKLYZDV-UHFFFAOYSA-N
XLogP1.30
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylaminomethyl)-1-methylpyrazol-3-amine
CID 165438711
N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpropane-1,3-diamine
CID 102801492
N-[[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methyl]ethanamine
CID 79485450
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine
CID 78971667
N-[[1-(3,5-dichlorophenyl)-3-methylpyrazol-4-yl]methyl]ethanamine
CID 84615216
1-(4-methylphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 47610762
N-[[1-(3-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine
CID 84617889
ethyl 2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetate
CID 83088889
1-(2,4-dichlorophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 112705196
N-[[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-1-amine
CID 79485212
N-[(1,3-dimethylpyrazol-4-yl)methyl]decan-1-amine
CID 83089811
2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetonitrile
CID 112669035

Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-3-(3-methylpyrazin-2-yl)pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-methyl-3-(3-methylpyrazin-2-yl)pyrazol-4-yl]methyl]ethanamine (CID 114080517) is N-[[1-methyl-3-(3-methylpyrazin-2-yl)pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-methyl-3-(3-methylpyrazin-2-yl)pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-methyl-3-(3-methylpyrazin-2-yl)pyrazol-4-yl]methyl]ethanamine is CCNCc1cn(C)nc1-c1nccnc1C.
What is the InChIKey of N-[[1-methyl-3-(3-methylpyrazin-2-yl)pyrazol-4-yl]methyl]ethanamine?
The InChIKey is QHVOLNGTKLYZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-4-13-7-10-8-17(3)16-12(10)11-9(2)14-5-6-15-11/h5-6,8,13H,4,7H2,1-3H3.
What are the key properties of N-[[1-methyl-3-(3-methylpyrazin-2-yl)pyrazol-4-yl]methyl]ethanamine?
N-[[1-methyl-3-(3-methylpyrazin-2-yl)pyrazol-4-yl]methyl]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-3-(3-methylpyrazin-2-yl)pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 114080517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).