(1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine

C15H21N3 — CID 83088818

IUPAC(1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1[C@H](C)NCc1cn(C)nc1C
InChIInChI=1S/C15H21N3/c1-11-7-5-6-8-15(11)13(3)16-9-14-10-18(4)17-12(14)2/h5-8,10,13,16H,9H2,1-4H3/t13-/m0/s1
InChIKeyGCBBQESWDVIYJC-ZDUSSCGKSA-N
MW243.35 g/mol
LogP2.89
Rot. Bonds4

About (1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine

(1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine (PubChem CID 83088818) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
PubChem CID83088818
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name(1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1[C@H](C)NCc1cn(C)nc1C
InChIInChI=1S/C15H21N3/c1-11-7-5-6-8-15(11)13(3)16-9-14-10-18(4)17-12(14)2/h5-8,10,13,16H,9H2,1-4H3/t13-/m0/s1
InChIKeyGCBBQESWDVIYJC-ZDUSSCGKSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 83090494
1-(2-methylphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 103882358
(1R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 83089241
N-[(2-chlorophenyl)methyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 63378794
4-[1-[(1,3-dimethylpyrazol-4-yl)methylamino]ethyl]phenol
CID 112668646
(1S)-1-(4-bromophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 83088989
1-(5-bromo-2-fluorophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 112668618
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]ethanamine
CID 19625559
1-(1,3-dimethylpyrazol-4-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79763765
1-(2,5-dichlorothiophen-3-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 114082787
(1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 83089484
1-(1-benzothiophen-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115767863

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine (CID 83088818) is (1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine is Cc1ccccc1[C@H](C)NCc1cn(C)nc1C.
What is the InChIKey of (1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is GCBBQESWDVIYJC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-7-5-6-8-15(11)13(3)16-9-14-10-18(4)17-12(14)2/h5-8,10,13,16H,9H2,1-4H3/t13-/m0/s1.
What are the key properties of (1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine?
(1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 83088818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).