(1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine

C15H19N3 — CID 106937098

IUPAC(1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine
SMILESC=Cn1cc(CN[C@@H](C)c2cccc(C)c2)cn1
InChIInChI=1S/C15H19N3/c1-4-18-11-14(10-17-18)9-16-13(3)15-7-5-6-12(2)8-15/h4-8,10-11,13,16H,1,9H2,2-3H3/t13-/m0/s1
InChIKeyAACQNWRIZYKDDN-ZDUSSCGKSA-N
MW241.34 g/mol
LogP3.14
Rot. Bonds5

About (1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine

(1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine (PubChem CID 106937098) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is (1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine
PubChem CID106937098
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name(1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine
SMILESC=Cn1cc(CN[C@@H](C)c2cccc(C)c2)cn1
InChIInChI=1S/C15H19N3/c1-4-18-11-14(10-17-18)9-16-13(3)15-7-5-6-12(2)8-15/h4-8,10-11,13,16H,1,9H2,2-3H3/t13-/m0/s1
InChIKeyAACQNWRIZYKDDN-ZDUSSCGKSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]pyrazol-1-yl]ethanol
CID 81363715
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine
CID 106936128
N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 106936168
N-[(1-ethenylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 106937029
(1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363119
(1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104756791
(1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81361545
(1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81363211
N-[(1R)-1-(3-methylphenyl)ethyl]but-3-en-1-amine
CID 81361218
(1R)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364360
(1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363727
2-N-[(1-ethenylpyrazol-4-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 106937204

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine (CID 106937098) is (1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine is C=Cn1cc(CN[C@@H](C)c2cccc(C)c2)cn1.
What is the InChIKey of (1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine?
The InChIKey is AACQNWRIZYKDDN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3/c1-4-18-11-14(10-17-18)9-16-13(3)15-7-5-6-12(2)8-15/h4-8,10-11,13,16H,1,9H2,2-3H3/t13-/m0/s1.
What are the key properties of (1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine?
(1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine has a molecular weight of 241.34 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 106937098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).