N-[[5-methyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine

C16H23N3O — CID 54851106

IUPACN-[[5-methyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
SMILESCCCOc1ccc(-c2n[nH]c(C)c2CNCC)cc1
InChIInChI=1S/C16H23N3O/c1-4-10-20-14-8-6-13(7-9-14)16-15(11-17-5-2)12(3)18-19-16/h6-9,17H,4-5,10-11H2,1-3H3,(H,18,19)
InChIKeyYNZDJJNMAMMPIG-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.28
Rot. Bonds7

About N-[[5-methyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine

N-[[5-methyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine (PubChem CID 54851106) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[5-methyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-methyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
PubChem CID54851106
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[[5-methyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
SMILESCCCOc1ccc(-c2n[nH]c(C)c2CNCC)cc1
InChIInChI=1S/C16H23N3O/c1-4-10-20-14-8-6-13(7-9-14)16-15(11-17-5-2)12(3)18-19-16/h6-9,17H,4-5,10-11H2,1-3H3,(H,18,19)
InChIKeyYNZDJJNMAMMPIG-UHFFFAOYSA-N
XLogP3.28
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3-butoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methyl]ethanamine
CID 54850659
[3-(4-butoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanol
CID 54850926
N-[[4-methyl-3-(4-octoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 54847544
N-[[5-methyl-3-(3-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 54850933
N-[[4-methyl-3-[4-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methyl]ethanamine
CID 54847084
N-[[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methyl]ethanamine
CID 54850928
6-(4-propoxyphenyl)-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 82554292
N-[[2-(4-propoxyphenyl)phenyl]methyl]ethanamine
CID 62796087
N-[[2-(4-propoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62495260
[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 54851145
[5-methyl-3-(4-propoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 82371295
N-[[2-fluoro-4-(4-propoxyphenyl)phenyl]methyl]ethanamine
CID 63425081

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-methyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine (CID 54851106) is N-[[5-methyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-methyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-methyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine is CCCOc1ccc(-c2n[nH]c(C)c2CNCC)cc1.
What is the InChIKey of N-[[5-methyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine?
The InChIKey is YNZDJJNMAMMPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-10-20-14-8-6-13(7-9-14)16-15(11-17-5-2)12(3)18-19-16/h6-9,17H,4-5,10-11H2,1-3H3,(H,18,19).
What are the key properties of N-[[5-methyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine?
N-[[5-methyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 54851106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).