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

C14H20N4 — CID 62288983

IUPACN-[[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(-n2nc(C)c(C)c2C)c1
InChIInChI=1S/C14H20N4/c1-5-15-9-13-6-7-16-14(8-13)18-12(4)10(2)11(3)17-18/h6-8,15H,5,9H2,1-4H3
InChIKeyKQROIMDDBVTTCA-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.30
Rot. Bonds4

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

N-[[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine (PubChem CID 62288983) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine
PubChem CID62288983
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-[[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(-n2nc(C)c(C)c2C)c1
InChIInChI=1S/C14H20N4/c1-5-15-9-13-6-7-16-14(8-13)18-12(4)10(2)11(3)17-18/h6-8,15H,5,9H2,1-4H3
InChIKeyKQROIMDDBVTTCA-UHFFFAOYSA-N
XLogP2.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine
CID 62294452
N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62295333
N-[[2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine
CID 62295215
N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]ethanamine
CID 62294478
N-[[5-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]methyl]ethanamine
CID 80636117
N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine
CID 62491394
N-[[2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 82694623
N-[[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methyl]ethanamine
CID 83188803
N-[[2-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine
CID 62932701
1-[4-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 63169357
N-[[2-(2,2-dimethylmorpholin-4-yl)-4-pyridinyl]methyl]ethanamine
CID 62282782
[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methanol
CID 113378780

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine (CID 62288983) is N-[[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine is CCNCc1ccnc(-n2nc(C)c(C)c2C)c1.
What is the InChIKey of N-[[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine?
The InChIKey is KQROIMDDBVTTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-5-15-9-13-6-7-16-14(8-13)18-12(4)10(2)11(3)17-18/h6-8,15H,5,9H2,1-4H3.
What are the key properties of N-[[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine?
N-[[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine has a molecular weight of 244.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62288983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).