N-[[6-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]ethanamine

C16H24N4 — CID 106907426

IUPACN-[[6-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(Cn2nc(C)c(CC)c2C)n1
InChIInChI=1S/C16H24N4/c1-5-16-12(3)19-20(13(16)4)11-15-9-7-8-14(18-15)10-17-6-2/h7-9,17H,5-6,10-11H2,1-4H3
InChIKeyQFRHWICDMGOYCE-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.62
Rot. Bonds6

About N-[[6-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]ethanamine

N-[[6-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]ethanamine (PubChem CID 106907426) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-[[6-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
PubChem CID106907426
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-[[6-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(Cn2nc(C)c(CC)c2C)n1
InChIInChI=1S/C16H24N4/c1-5-16-12(3)19-20(13(16)4)11-15-9-7-8-14(18-15)10-17-6-2/h7-9,17H,5-6,10-11H2,1-4H3
InChIKeyQFRHWICDMGOYCE-UHFFFAOYSA-N
XLogP2.62
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62440795
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
N-[[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 114930880
N-[[6-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106907332
N-[[3-bromo-4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]ethanamine
CID 102772164
[2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanamine
CID 61238142
N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine
CID 55059648
N-[[2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]ethanamine
CID 62446746
5-bromo-2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 104809178
4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine
CID 61238153
N-[[6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106906516
N-[[3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 43647830

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]ethanamine (CID 106907426) is N-[[6-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]ethanamine is CCNCc1cccc(Cn2nc(C)c(CC)c2C)n1.
What is the InChIKey of N-[[6-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]ethanamine?
The InChIKey is QFRHWICDMGOYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-5-16-12(3)19-20(13(16)4)11-15-9-7-8-14(18-15)10-17-6-2/h7-9,17H,5-6,10-11H2,1-4H3.
What are the key properties of N-[[6-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]ethanamine?
N-[[6-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]ethanamine has a molecular weight of 272.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 106907426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).