1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-methylphenyl)ethanamine

C16H23N3 — CID 102803003

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(C)c1)c1cn(C)nc1C
InChIInChI=1S/C16H23N3/c1-5-17-16(15-11-19(4)18-13(15)3)10-14-8-6-7-12(2)9-14/h6-9,11,16-17H,5,10H2,1-4H3
InChIKeyDPXIJUOOZQBXHY-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.93
Rot. Bonds5

About 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-methylphenyl)ethanamine

1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-methylphenyl)ethanamine (PubChem CID 102803003) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
PubChem CID102803003
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(C)c1)c1cn(C)nc1C
InChIInChI=1S/C16H23N3/c1-5-17-16(15-11-19(4)18-13(15)3)10-14-8-6-7-12(2)9-14/h6-9,11,16-17H,5,10H2,1-4H3
InChIKeyDPXIJUOOZQBXHY-UHFFFAOYSA-N
XLogP2.93
TPSA29.85 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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 102803029
2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 102804305
2-(3,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 102804672
N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990255
N-ethyl-1-(2-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 55025976
N-ethyl-1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanamine
CID 63976652
N-[1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine
CID 102803059
1-(1,3-dimethylpyrazol-4-yl)-N-ethylpent-4-yn-1-amine
CID 102803730
1-(2-chloro-4-fluorophenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 63420154
N-[2-(3-bromo-4-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 102803108
N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65152804
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine
CID 102804358

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-methylphenyl)ethanamine (CID 102803003) is 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-methylphenyl)ethanamine is CCNC(Cc1cccc(C)c1)c1cn(C)nc1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-methylphenyl)ethanamine?
The InChIKey is DPXIJUOOZQBXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-17-16(15-11-19(4)18-13(15)3)10-14-8-6-7-12(2)9-14/h6-9,11,16-17H,5,10H2,1-4H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-methylphenyl)ethanamine?
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-methylphenyl)ethanamine has a molecular weight of 257.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 102803003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).