[3-[4-(2-phenylethoxy)phenyl]-1H-pyrazol-5-yl]methanamine

C18H19N3O — CID 54847277

IUPAC[3-[4-(2-phenylethoxy)phenyl]-1H-pyrazol-5-yl]methanamine
SMILESNCc1cc(-c2ccc(OCCc3ccccc3)cc2)n[nH]1
InChIInChI=1S/C18H19N3O/c19-13-16-12-18(21-20-16)15-6-8-17(9-7-15)22-11-10-14-4-2-1-3-5-14/h1-9,12H,10-11,13,19H2,(H,20,21)
InChIKeyWHGPSXMUYNZDJG-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.16
Rot. Bonds6

About [3-[4-(2-phenylethoxy)phenyl]-1H-pyrazol-5-yl]methanamine

[3-[4-(2-phenylethoxy)phenyl]-1H-pyrazol-5-yl]methanamine (PubChem CID 54847277) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is [3-[4-(2-phenylethoxy)phenyl]-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[4-(2-phenylethoxy)phenyl]-1H-pyrazol-5-yl]methanamine
PubChem CID54847277
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name[3-[4-(2-phenylethoxy)phenyl]-1H-pyrazol-5-yl]methanamine
SMILESNCc1cc(-c2ccc(OCCc3ccccc3)cc2)n[nH]1
InChIInChI=1S/C18H19N3O/c19-13-16-12-18(21-20-16)15-6-8-17(9-7-15)22-11-10-14-4-2-1-3-5-14/h1-9,12H,10-11,13,19H2,(H,20,21)
InChIKeyWHGPSXMUYNZDJG-UHFFFAOYSA-N
XLogP3.16
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[3-[4-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine
CID 54847044
2-[[3-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54852939
4-[3-[3-(2-phenylethoxy)phenyl]-1H-pyrazol-5-yl]aniline
CID 54853486
[3-(4-cyclopentyloxyphenyl)-1H-pyrazol-5-yl]methanamine
CID 82483039
1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride
CID 174678575
5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
CID 118529456
[3-[4-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methanol
CID 54847305
5-(aminomethyl)-3-(4-propoxyphenyl)-1H-pyridazin-6-one
CID 82446164
N-methyl-1-[3-(4-pentoxyphenyl)-1H-pyrazol-5-yl]methanamine
CID 54847474
1-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]-N-methylmethanamine
CID 54847503
2-[[3-[3-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54853020
[3-(4-methylsulfanylphenyl)-1H-pyrazol-5-yl]methanamine
CID 82472441

Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-phenylethoxy)phenyl]-1H-pyrazol-5-yl]methanamine?
The IUPAC name of [3-[4-(2-phenylethoxy)phenyl]-1H-pyrazol-5-yl]methanamine (CID 54847277) is [3-[4-(2-phenylethoxy)phenyl]-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for [3-[4-(2-phenylethoxy)phenyl]-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for [3-[4-(2-phenylethoxy)phenyl]-1H-pyrazol-5-yl]methanamine is NCc1cc(-c2ccc(OCCc3ccccc3)cc2)n[nH]1.
What is the InChIKey of [3-[4-(2-phenylethoxy)phenyl]-1H-pyrazol-5-yl]methanamine?
The InChIKey is WHGPSXMUYNZDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c19-13-16-12-18(21-20-16)15-6-8-17(9-7-15)22-11-10-14-4-2-1-3-5-14/h1-9,12H,10-11,13,19H2,(H,20,21).
What are the key properties of [3-[4-(2-phenylethoxy)phenyl]-1H-pyrazol-5-yl]methanamine?
[3-[4-(2-phenylethoxy)phenyl]-1H-pyrazol-5-yl]methanamine has a molecular weight of 293.37 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-phenylethoxy)phenyl]-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 54847277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).