(1R)-1-(2-methylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine

C14H19N3 — CID 81374023

IUPAC(1R)-1-(2-methylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
SMILESCc1ccccc1[C@@H](C)NCCn1cccn1
InChIInChI=1S/C14H19N3/c1-12-6-3-4-7-14(12)13(2)15-9-11-17-10-5-8-16-17/h3-8,10,13,15H,9,11H2,1-2H3/t13-/m1/s1
InChIKeyIAEHHOUSYIRNDZ-CYBMUJFWSA-N
MW229.33 g/mol
LogP2.54
Rot. Bonds5

About (1R)-1-(2-methylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine

(1R)-1-(2-methylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine (PubChem CID 81374023) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is (1R)-1-(2-methylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-methylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
PubChem CID81374023
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name(1R)-1-(2-methylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
SMILESCc1ccccc1[C@@H](C)NCCn1cccn1
InChIInChI=1S/C14H19N3/c1-12-6-3-4-7-14(12)13(2)15-9-11-17-10-5-8-16-17/h3-8,10,13,15H,9,11H2,1-2H3/t13-/m1/s1
InChIKeyIAEHHOUSYIRNDZ-CYBMUJFWSA-N
XLogP2.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine
CID 113374915
N-[1-(2,5-dimethylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 112700053
N-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 61239803
N-[1-(2-methylphenyl)ethyl]pentan-1-amine
CID 43177677
1-(2-bromo-4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 103901299
1-(4-tert-butylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 61459928
N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine
CID 81373594
N-[(1S)-1-(2-methylphenyl)ethyl]but-3-en-1-amine
CID 81374868
(1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81370767
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 75382566
1-(2-methyl-1,3-thiazol-5-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 115888868
1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 61459875

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The IUPAC name of (1R)-1-(2-methylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine (CID 81374023) is (1R)-1-(2-methylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-methylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The canonical SMILES for (1R)-1-(2-methylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine is Cc1ccccc1[C@@H](C)NCCn1cccn1.
What is the InChIKey of (1R)-1-(2-methylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The InChIKey is IAEHHOUSYIRNDZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N3/c1-12-6-3-4-7-14(12)13(2)15-9-11-17-10-5-8-16-17/h3-8,10,13,15H,9,11H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-(2-methylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine?
(1R)-1-(2-methylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine is sourced from PubChem (CID 81374023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).