N-methyl-1-[3-[4-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine

C20H23N3O — CID 54847044

IUPACN-methyl-1-[3-[4-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine
SMILESCNCc1cc(-c2ccc(OCCCc3ccccc3)cc2)n[nH]1
InChIInChI=1S/C20H23N3O/c1-21-15-18-14-20(23-22-18)17-9-11-19(12-10-17)24-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,14,21H,5,8,13,15H2,1H3,(H,22,23)
InChIKeyOLWYNHVOMHVIPN-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.81
Rot. Bonds8

About N-methyl-1-[3-[4-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine

N-methyl-1-[3-[4-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine (PubChem CID 54847044) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-methyl-1-[3-[4-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[4-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine
PubChem CID54847044
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-methyl-1-[3-[4-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine
SMILESCNCc1cc(-c2ccc(OCCCc3ccccc3)cc2)n[nH]1
InChIInChI=1S/C20H23N3O/c1-21-15-18-14-20(23-22-18)17-9-11-19(12-10-17)24-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,14,21H,5,8,13,15H2,1H3,(H,22,23)
InChIKeyOLWYNHVOMHVIPN-UHFFFAOYSA-N
XLogP3.81
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
[3-[4-(2-phenylethoxy)phenyl]-1H-pyrazol-5-yl]methanamine
CID 54847277
N-methyl-1-[4-methyl-5-[4-(3-phenylpropoxy)phenyl]-1,2-oxazol-3-yl]methanamine
CID 54846862
5-(4-butoxyphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1,2,4-triazin-3-amine
CID 70901925
N-[[4-methyl-3-[4-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methyl]ethanamine
CID 54847084
1-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylmethanamine
CID 62111510
2-[[3-[3-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54853020
N-methyl-1-[6-(5-phenylpentoxy)naphthalen-2-yl]methanamine
CID 66853441
5,6-dimethyl-2-[4-(3-phenylpropoxy)phenyl]-1H-benzimidazole
CID 110535345
N-methyl-1-[3-(2-pentoxyphenyl)-1H-pyrazol-5-yl]methanamine
CID 54847408
[3-[4-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methanol
CID 54847305

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[4-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[4-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine (CID 54847044) is N-methyl-1-[3-[4-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[4-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[4-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine is CNCc1cc(-c2ccc(OCCCc3ccccc3)cc2)n[nH]1.
What is the InChIKey of N-methyl-1-[3-[4-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine?
The InChIKey is OLWYNHVOMHVIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-21-15-18-14-20(23-22-18)17-9-11-19(12-10-17)24-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,14,21H,5,8,13,15H2,1H3,(H,22,23).
What are the key properties of N-methyl-1-[3-[4-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine?
N-methyl-1-[3-[4-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine has a molecular weight of 321.42 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[4-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 54847044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).