(1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine

C15H21N3 — CID 103001774

IUPAC(1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
SMILESCc1cccc([C@@H](C)NCCc2ccnn2C)c1
InChIInChI=1S/C15H21N3/c1-12-5-4-6-14(11-12)13(2)16-9-7-15-8-10-17-18(15)3/h4-6,8,10-11,13,16H,7,9H2,1-3H3/t13-/m1/s1
InChIKeyYJOCVNXZVPGRJC-CYBMUJFWSA-N
MW243.35 g/mol
LogP2.62
Rot. Bonds5

About (1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine

(1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine (PubChem CID 103001774) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
PubChem CID103001774
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name(1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
SMILESCc1cccc([C@@H](C)NCCc2ccnn2C)c1
InChIInChI=1S/C15H21N3/c1-12-5-4-6-14(11-12)13(2)16-9-7-15-8-10-17-18(15)3/h4-6,8,10-11,13,16H,7,9H2,1-3H3/t13-/m1/s1
InChIKeyYJOCVNXZVPGRJC-CYBMUJFWSA-N
XLogP2.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 113442203
1-(3-methylphenyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine
CID 75423044
(1R)-1-(3-methylphenyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine
CID 97318747
1-(3,5-dimethylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 79479697
1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43673323
N-[(3-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694342
(1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine
CID 81364217
1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 104695143
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 104693840
4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzonitrile
CID 104693858
(1R)-1-(2,5-dimethylfuran-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 100678259
N-[(1S)-1-(3-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 97229657

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine (CID 103001774) is (1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine is Cc1cccc([C@@H](C)NCCc2ccnn2C)c1.
What is the InChIKey of (1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine?
The InChIKey is YJOCVNXZVPGRJC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3/c1-12-5-4-6-14(11-12)13(2)16-9-7-15-8-10-17-18(15)3/h4-6,8,10-11,13,16H,7,9H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine?
(1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine has a molecular weight of 243.35 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 (1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 103001774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).