1-(3-ethyl-1-methylpyrazol-4-yl)-2-phenylethanamine

C14H19N3 — CID 102811949

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-2-phenylethanamine
SMILESCCc1nn(C)cc1C(N)Cc1ccccc1
InChIInChI=1S/C14H19N3/c1-3-14-12(10-17(2)16-14)13(15)9-11-7-5-4-6-8-11/h4-8,10,13H,3,9,15H2,1-2H3
InChIKeyLCVLZTBEJUBVGH-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.22
Rot. Bonds4

About 1-(3-ethyl-1-methylpyrazol-4-yl)-2-phenylethanamine

1-(3-ethyl-1-methylpyrazol-4-yl)-2-phenylethanamine (PubChem CID 102811949) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-2-phenylethanamine
PubChem CID102811949
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-2-phenylethanamine
SMILESCCc1nn(C)cc1C(N)Cc1ccccc1
InChIInChI=1S/C14H19N3/c1-3-14-12(10-17(2)16-14)13(15)9-11-7-5-4-6-8-11/h4-8,10,13H,3,9,15H2,1-2H3
InChIKeyLCVLZTBEJUBVGH-UHFFFAOYSA-N
XLogP2.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine
CID 102811982
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methoxyphenyl)ethanamine
CID 102812078
(3S)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoic acid
CID 96758684
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064883
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 102812630
(2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812331
1-(3-ethyl-1-methylpyrazol-4-yl)-N-phenylethane-1,2-diamine
CID 112669491
(1R)-1-(1-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine
CID 97288693
2-(4-tert-butylphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 115990490
methyl (3R)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate
CID 103955778
2-(3-ethyl-1-methylpyrazol-4-yl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid
CID 103955761
2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-phenylethanamine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-phenylethanamine (CID 102811949) is 1-(3-ethyl-1-methylpyrazol-4-yl)-2-phenylethanamine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-2-phenylethanamine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-2-phenylethanamine is CCc1nn(C)cc1C(N)Cc1ccccc1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-phenylethanamine?
The InChIKey is LCVLZTBEJUBVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-14-12(10-17(2)16-14)13(15)9-11-7-5-4-6-8-11/h4-8,10,13H,3,9,15H2,1-2H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-phenylethanamine?
1-(3-ethyl-1-methylpyrazol-4-yl)-2-phenylethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-2-phenylethanamine is sourced from PubChem (CID 102811949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).