N-(2-methoxyethyl)-3-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]propan-1-amine

C22H27N3O — CID 60514653

IUPACN-(2-methoxyethyl)-3-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]propan-1-amine
SMILESCOCCN(CCCc1ccccc1)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C22H27N3O/c1-26-18-17-24(15-5-9-20-7-3-2-4-8-20)19-21-10-12-22(13-11-21)25-16-6-14-23-25/h2-4,6-8,10-14,16H,5,9,15,17-19H2,1H3
InChIKeyVBZPRLVUHGUTDR-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.95
Rot. Bonds10

About N-(2-methoxyethyl)-3-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]propan-1-amine

N-(2-methoxyethyl)-3-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]propan-1-amine (PubChem CID 60514653) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]propan-1-amine
PubChem CID60514653
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-(2-methoxyethyl)-3-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]propan-1-amine
SMILESCOCCN(CCCc1ccccc1)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C22H27N3O/c1-26-18-17-24(15-5-9-20-7-3-2-4-8-20)19-21-10-12-22(13-11-21)25-16-6-14-23-25/h2-4,6-8,10-14,16H,5,9,15,17-19H2,1H3
InChIKeyVBZPRLVUHGUTDR-UHFFFAOYSA-N
XLogP3.95
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]propan-1-amine (CID 60514653) is N-(2-methoxyethyl)-3-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]propan-1-amine is COCCN(CCCc1ccccc1)Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-3-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]propan-1-amine?
The InChIKey is VBZPRLVUHGUTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-26-18-17-24(15-5-9-20-7-3-2-4-8-20)19-21-10-12-22(13-11-21)25-16-6-14-23-25/h2-4,6-8,10-14,16H,5,9,15,17-19H2,1H3.
What are the key properties of N-(2-methoxyethyl)-3-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]propan-1-amine?
N-(2-methoxyethyl)-3-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]propan-1-amine has a molecular weight of 349.48 g/mol, XLogP of 3.95, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 60514653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).