N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-phenylethanamine

C19H21N3O — CID 6625334

IUPACN-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-phenylethanamine
SMILESCOc1ccccc1-c1[nH]ncc1CNCCc1ccccc1
InChIInChI=1S/C19H21N3O/c1-23-18-10-6-5-9-17(18)19-16(14-21-22-19)13-20-12-11-15-7-3-2-4-8-15/h2-10,14,20H,11-13H2,1H3,(H,21,22)
InChIKeyDMWJBCPHJOMUPT-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.42
Rot. Bonds7

About N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-phenylethanamine

N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-phenylethanamine (PubChem CID 6625334) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-phenylethanamine
PubChem CID6625334
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-phenylethanamine
SMILESCOc1ccccc1-c1[nH]ncc1CNCCc1ccccc1
InChIInChI=1S/C19H21N3O/c1-23-18-10-6-5-9-17(18)19-16(14-21-22-19)13-20-12-11-15-7-3-2-4-8-15/h2-10,14,20H,11-13H2,1H3,(H,21,22)
InChIKeyDMWJBCPHJOMUPT-UHFFFAOYSA-N
XLogP3.42
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.42
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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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-phenylethanamine?
The IUPAC name of N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-phenylethanamine (CID 6625334) is N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-phenylethanamine.
What is the SMILES notation for N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-phenylethanamine?
The canonical SMILES for N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-phenylethanamine is COc1ccccc1-c1[nH]ncc1CNCCc1ccccc1.
What is the InChIKey of N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-phenylethanamine?
The InChIKey is DMWJBCPHJOMUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-23-18-10-6-5-9-17(18)19-16(14-21-22-19)13-20-12-11-15-7-3-2-4-8-15/h2-10,14,20H,11-13H2,1H3,(H,21,22).
What are the key properties of N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-phenylethanamine?
N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-phenylethanamine has a molecular weight of 307.40 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-phenylethanamine is sourced from PubChem (CID 6625334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).