N-[(1-methylpyrazol-4-yl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine

C16H23N3 — CID 61349253

IUPACN-[(1-methylpyrazol-4-yl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(C)NCc2cnn(C)c2)c(C)c1
InChIInChI=1S/C16H23N3/c1-11-6-12(2)16(13(3)7-11)14(4)17-8-15-9-18-19(5)10-15/h6-7,9-10,14,17H,8H2,1-5H3
InChIKeyKHQHFLVLJAREAN-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.20
Rot. Bonds4

About N-[(1-methylpyrazol-4-yl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine

N-[(1-methylpyrazol-4-yl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 61349253) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID61349253
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(C)NCc2cnn(C)c2)c(C)c1
InChIInChI=1S/C16H23N3/c1-11-6-12(2)16(13(3)7-11)14(4)17-8-15-9-18-19(5)10-15/h6-7,9-10,14,17H,8H2,1-5H3
InChIKeyKHQHFLVLJAREAN-UHFFFAOYSA-N
XLogP3.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 80682119
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 43085339
1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 54979175
1-(4-bromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 107167308
(1R)-1-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81402958
1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43224040
(1S)-1-(2,4-dichlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 28600399
(1R)-1-(1,3-benzodioxol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 93263726
4-chloro-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 83187892
1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 60945948
1-(4-butylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 61351168
3-[(1-methylpyrazol-4-yl)methylamino]-2-methylsulfanylbutan-1-ol
CID 111440339

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine (CID 61349253) is N-[(1-methylpyrazol-4-yl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine is Cc1cc(C)c(C(C)NCc2cnn(C)c2)c(C)c1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is KHQHFLVLJAREAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11-6-12(2)16(13(3)7-11)14(4)17-8-15-9-18-19(5)10-15/h6-7,9-10,14,17H,8H2,1-5H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine?
N-[(1-methylpyrazol-4-yl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 61349253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).