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

C16H23N3 — CID 105348623

IUPACN-methyl-2-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]ethanamine
SMILESCNCCc1ccc(Cn2nc(C)c(C)c2C)cc1
InChIInChI=1S/C16H23N3/c1-12-13(2)18-19(14(12)3)11-16-7-5-15(6-8-16)9-10-17-4/h5-8,17H,9-11H2,1-4H3
InChIKeyZHYCPILWLDOHHP-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.62
Rot. Bonds5

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

N-methyl-2-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]ethanamine (PubChem CID 105348623) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-methyl-2-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]ethanamine
PubChem CID105348623
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-methyl-2-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]ethanamine
SMILESCNCCc1ccc(Cn2nc(C)c(C)c2C)cc1
InChIInChI=1S/C16H23N3/c1-12-13(2)18-19(14(12)3)11-16-7-5-15(6-8-16)9-10-17-4/h5-8,17H,9-11H2,1-4H3
InChIKeyZHYCPILWLDOHHP-UHFFFAOYSA-N
XLogP2.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]boronic acid
CID 54970589
4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzohydrazide
CID 55214651
3,4,5-trimethyl-1-[(4-nitrophenyl)methyl]pyrazole
CID 174704282
2-[4-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]phenyl]-N-methylethanamine
CID 105348745
N-methyl-5-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine
CID 62441748
N-methyl-2-nitro-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline
CID 62195761
2-[4-(5-chloropyrazol-1-yl)phenyl]-N-methylethanamine
CID 117344011
4-[[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]methyl]benzonitrile
CID 43647628
2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline
CID 61225934
5-chloro-3,4-dimethyl-1-[(4-methylphenyl)methyl]pyrazole
CID 66023235
2-[1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 65315793
2-fluoro-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzonitrile
CID 107881978

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]ethanamine?
The IUPAC name of N-methyl-2-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]ethanamine (CID 105348623) is N-methyl-2-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]ethanamine?
The canonical SMILES for N-methyl-2-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]ethanamine is CNCCc1ccc(Cn2nc(C)c(C)c2C)cc1.
What is the InChIKey of N-methyl-2-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]ethanamine?
The InChIKey is ZHYCPILWLDOHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12-13(2)18-19(14(12)3)11-16-7-5-15(6-8-16)9-10-17-4/h5-8,17H,9-11H2,1-4H3.
What are the key properties of N-methyl-2-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]ethanamine?
N-methyl-2-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]ethanamine is sourced from PubChem (CID 105348623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).