N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine

C14H19N3 — CID 113442203

IUPACN-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
SMILESCC(NCCc1ccnn1C)c1ccccc1
InChIInChI=1S/C14H19N3/c1-12(13-6-4-3-5-7-13)15-10-8-14-9-11-16-17(14)2/h3-7,9,11-12,15H,8,10H2,1-2H3
InChIKeyYBCMQTUUIKMMJS-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.31
Rot. Bonds5

About N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine

N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine (PubChem CID 113442203) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
PubChem CID113442203
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
SMILESCC(NCCc1ccnn1C)c1ccccc1
InChIInChI=1S/C14H19N3/c1-12(13-6-4-3-5-7-13)15-10-8-14-9-11-16-17(14)2/h3-7,9,11-12,15H,8,10H2,1-2H3
InChIKeyYBCMQTUUIKMMJS-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 103001774
4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzonitrile
CID 104693858
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 104693840
2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 103464752
N-[2-(2-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine
CID 104693843
1-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 104693888
3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylbutan-1-amine
CID 107876456
N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 122139558
N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-2-amine
CID 104695080
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-3-amine
CID 104694997
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-methylsulfinylpropan-2-amine
CID 103002139
1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 104695143

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine?
The IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine (CID 113442203) is N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine.
What is the SMILES notation for N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine?
The canonical SMILES for N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine is CC(NCCc1ccnn1C)c1ccccc1.
What is the InChIKey of N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine?
The InChIKey is YBCMQTUUIKMMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-12(13-6-4-3-5-7-13)15-10-8-14-9-11-16-17(14)2/h3-7,9,11-12,15H,8,10H2,1-2H3.
What are the key properties of N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine?
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine is sourced from PubChem (CID 113442203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).