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

C19H21N3O — CID 6625303

IUPAC1-(4-ethoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCCOc1ccc(CNCc2cn[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C19H21N3O/c1-2-23-18-10-8-15(9-11-18)12-20-13-17-14-21-22-19(17)16-6-4-3-5-7-16/h3-11,14,20H,2,12-13H2,1H3,(H,21,22)
InChIKeyRAVNFYUWUOREJM-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.77
Rot. Bonds7

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

1-(4-ethoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 6625303) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID6625303
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-(4-ethoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCCOc1ccc(CNCc2cn[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C19H21N3O/c1-2-23-18-10-8-15(9-11-18)12-20-13-17-14-21-22-19(17)16-6-4-3-5-7-16/h3-11,14,20H,2,12-13H2,1H3,(H,21,22)
InChIKeyRAVNFYUWUOREJM-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine (CID 6625303) is 1-(4-ethoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine is CCOc1ccc(CNCc2cn[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is RAVNFYUWUOREJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-2-23-18-10-8-15(9-11-18)12-20-13-17-14-21-22-19(17)16-6-4-3-5-7-16/h3-11,14,20H,2,12-13H2,1H3,(H,21,22).
What are the key properties of 1-(4-ethoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
1-(4-ethoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 307.40 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 6625303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).