N-[[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-1-amine

C16H23N3 — CID 66008721

IUPACN-[[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1-c1cn(C)nc1CC
InChIInChI=1S/C16H23N3/c1-4-10-17-11-13-8-6-7-9-14(13)15-12-19(3)18-16(15)5-2/h6-9,12,17H,4-5,10-11H2,1-3H3
InChIKeyJMTFRLPFFQHIQY-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.15
Rot. Bonds6

About N-[[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-1-amine

N-[[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-1-amine (PubChem CID 66008721) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-1-amine
PubChem CID66008721
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1-c1cn(C)nc1CC
InChIInChI=1S/C16H23N3/c1-4-10-17-11-13-8-6-7-9-14(13)15-12-19(3)18-16(15)5-2/h6-9,12,17H,4-5,10-11H2,1-3H3
InChIKeyJMTFRLPFFQHIQY-UHFFFAOYSA-N
XLogP3.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methanamine
CID 66008084
N-[[2-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine
CID 66022687
N-[[2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 66010129
N-[2-(3-ethyl-1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 112671374
N-[[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 102811471
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-phenoxyethanamine
CID 112549164
N-[[3-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine
CID 106888846
N-[[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)phenyl]methyl]propan-1-amine
CID 63805160
N-[[2-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine
CID 63424188
1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 115885559
1-[2-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]-N-methylmethanamine
CID 114060527
3-(3-ethyl-1-methylpyrazol-4-yl)pyridin-2-amine
CID 66008698

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-1-amine (CID 66008721) is N-[[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-1-amine is CCCNCc1ccccc1-c1cn(C)nc1CC.
What is the InChIKey of N-[[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-1-amine?
The InChIKey is JMTFRLPFFQHIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-10-17-11-13-8-6-7-9-14(13)15-12-19(3)18-16(15)5-2/h6-9,12,17H,4-5,10-11H2,1-3H3.
What are the key properties of N-[[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-1-amine?
N-[[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 66008721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).