3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine

C16H23N3 — CID 79420760

IUPAC3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine
SMILESCCn1nc(C)cc1CC(CN)c1ccccc1C
InChIInChI=1S/C16H23N3/c1-4-19-15(9-13(3)18-19)10-14(11-17)16-8-6-5-7-12(16)2/h5-9,14H,4,10-11,17H2,1-3H3
InChIKeyPLXSGEKCJVTVTB-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.80
Rot. Bonds5

About 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine

3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine (PubChem CID 79420760) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine
PubChem CID79420760
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine
SMILESCCn1nc(C)cc1CC(CN)c1ccccc1C
InChIInChI=1S/C16H23N3/c1-4-19-15(9-13(3)18-19)10-14(11-17)16-8-6-5-7-12(16)2/h5-9,14H,4,10-11,17H2,1-3H3
InChIKeyPLXSGEKCJVTVTB-UHFFFAOYSA-N
XLogP2.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine
CID 79423700
5-[3-bromo-2-(2-methylphenyl)propyl]-1,3-diethylpyrazole
CID 79418365
3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79439308
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66059722
[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methylsulfanylphenyl)ethyl]hydrazine
CID 105318994
5-[3-chloro-2-(2-methylphenyl)propyl]-1,3-dimethylpyrazole
CID 79418354
2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644178
3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(2-methylphenyl)propan-1-amine
CID 79420924
3-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-methylphenyl)propan-1-ol
CID 79436904
5-[3-chloro-2-(4-methylphenyl)propyl]-1-ethyl-3-methylpyrazole
CID 79435964
5-(3-chloro-2-methyl-3-phenylpropyl)-1-ethyl-3-methylpyrazole
CID 113460182
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279154

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine?
The IUPAC name of 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine (CID 79420760) is 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine is CCn1nc(C)cc1CC(CN)c1ccccc1C.
What is the InChIKey of 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine?
The InChIKey is PLXSGEKCJVTVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-19-15(9-13(3)18-19)10-14(11-17)16-8-6-5-7-12(16)2/h5-9,14H,4,10-11,17H2,1-3H3.
What are the key properties of 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine?
3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 79420760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).