1-[[3-(3-phenylpropoxy)phenyl]methyl]pyrazole

C19H20N2O — CID 141063821

IUPAC1-[[3-(3-phenylpropoxy)phenyl]methyl]pyrazole
SMILESc1ccc(CCCOc2cccc(Cn3cccn3)c2)cc1
InChIInChI=1S/C19H20N2O/c1-2-7-17(8-3-1)10-5-14-22-19-11-4-9-18(15-19)16-21-13-6-12-20-21/h1-4,6-9,11-13,15H,5,10,14,16H2
InChIKeyPDZOXWKRXBAGNY-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.94
Rot. Bonds7

About 1-[[3-(3-phenylpropoxy)phenyl]methyl]pyrazole

1-[[3-(3-phenylpropoxy)phenyl]methyl]pyrazole (PubChem CID 141063821) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[[3-(3-phenylpropoxy)phenyl]methyl]pyrazole.

Molecular Properties

Compound Name1-[[3-(3-phenylpropoxy)phenyl]methyl]pyrazole
PubChem CID141063821
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name1-[[3-(3-phenylpropoxy)phenyl]methyl]pyrazole
SMILESc1ccc(CCCOc2cccc(Cn3cccn3)c2)cc1
InChIInChI=1S/C19H20N2O/c1-2-7-17(8-3-1)10-5-14-22-19-11-4-9-18(15-19)16-21-13-6-12-20-21/h1-4,6-9,11-13,15H,5,10,14,16H2
InChIKeyPDZOXWKRXBAGNY-UHFFFAOYSA-N
XLogP3.94
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-ethylphenoxy)ethyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide
CID 70720863
1-(3-phenoxypropyl)pyrazole
CID 55028379
[3-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 102814568
N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine
CID 54962036
3-(pyrazol-1-ylmethyl)phenol
CID 24745197
3-(3-pyrazol-1-ylpropoxy)aniline
CID 43174290
2-methyl-1-(3-phenylpropyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111198964
N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 35764030
N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 61491603
2-(3-phenylpropoxy)naphthalene
CID 13432986
2-[methyl-[1-[[3-(3-phenylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid
CID 122042847
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-phenylpropoxy)phenyl]methyl]pyrazole?
The IUPAC name of 1-[[3-(3-phenylpropoxy)phenyl]methyl]pyrazole (CID 141063821) is 1-[[3-(3-phenylpropoxy)phenyl]methyl]pyrazole.
What is the SMILES notation for 1-[[3-(3-phenylpropoxy)phenyl]methyl]pyrazole?
The canonical SMILES for 1-[[3-(3-phenylpropoxy)phenyl]methyl]pyrazole is c1ccc(CCCOc2cccc(Cn3cccn3)c2)cc1.
What is the InChIKey of 1-[[3-(3-phenylpropoxy)phenyl]methyl]pyrazole?
The InChIKey is PDZOXWKRXBAGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-2-7-17(8-3-1)10-5-14-22-19-11-4-9-18(15-19)16-21-13-6-12-20-21/h1-4,6-9,11-13,15H,5,10,14,16H2.
What are the key properties of 1-[[3-(3-phenylpropoxy)phenyl]methyl]pyrazole?
1-[[3-(3-phenylpropoxy)phenyl]methyl]pyrazole has a molecular weight of 292.38 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-phenylpropoxy)phenyl]methyl]pyrazole is sourced from PubChem (CID 141063821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).