3-benzyl-5-(phenoxymethyl)-3H-pyrazole

C17H16N2O — CID 71067139

IUPAC3-benzyl-5-(phenoxymethyl)-3H-pyrazole
SMILESC1=C(COc2ccccc2)N=NC1Cc1ccccc1
InChIInChI=1S/C17H16N2O/c1-3-7-14(8-4-1)11-15-12-16(19-18-15)13-20-17-9-5-2-6-10-17/h1-10,12,15H,11,13H2
InChIKeyIOWCMUITBCQIQH-UHFFFAOYSA-N
MW264.33 g/mol
LogP4.03
Rot. Bonds5

About 3-benzyl-5-(phenoxymethyl)-3H-pyrazole

3-benzyl-5-(phenoxymethyl)-3H-pyrazole (PubChem CID 71067139) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-benzyl-5-(phenoxymethyl)-3H-pyrazole.

Molecular Properties

Compound Name3-benzyl-5-(phenoxymethyl)-3H-pyrazole
PubChem CID71067139
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-benzyl-5-(phenoxymethyl)-3H-pyrazole
SMILESC1=C(COc2ccccc2)N=NC1Cc1ccccc1
InChIInChI=1S/C17H16N2O/c1-3-7-14(8-4-1)11-15-12-16(19-18-15)13-20-17-9-5-2-6-10-17/h1-10,12,15H,11,13H2
InChIKeyIOWCMUITBCQIQH-UHFFFAOYSA-N
XLogP4.03
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-benzyl-2H-azirine
CID 155642978
(3S,6R)-3-benzyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione
CID 155535405
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
phenoxymethylbenzene;sulfuric acid
CID 68982967
2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine
CID 18969682
(2R,5S)-2,5-bis[(4-phenylmethoxyphenyl)methyl]piperazine
CID 171348097
(2Z,3Z)-2,3-bis[(4-phenylmethoxyphenyl)methylidene]butanedial
CID 11248500
phenoxymethylbenzene;tetradecane
CID 175006528
2-methyl-5-phenylmethoxypyrimidine
CID 59993103
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
3-cyclopropyl-5-(phenoxymethyl)-1H-1,2,4-triazole
CID 61336550
3-[3-(phenoxymethyl)phenyl]prop-2-yn-1-amine
CID 54969909

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(phenoxymethyl)-3H-pyrazole?
The IUPAC name of 3-benzyl-5-(phenoxymethyl)-3H-pyrazole (CID 71067139) is 3-benzyl-5-(phenoxymethyl)-3H-pyrazole.
What is the SMILES notation for 3-benzyl-5-(phenoxymethyl)-3H-pyrazole?
The canonical SMILES for 3-benzyl-5-(phenoxymethyl)-3H-pyrazole is C1=C(COc2ccccc2)N=NC1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-(phenoxymethyl)-3H-pyrazole?
The InChIKey is IOWCMUITBCQIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-3-7-14(8-4-1)11-15-12-16(19-18-15)13-20-17-9-5-2-6-10-17/h1-10,12,15H,11,13H2.
What are the key properties of 3-benzyl-5-(phenoxymethyl)-3H-pyrazole?
3-benzyl-5-(phenoxymethyl)-3H-pyrazole has a molecular weight of 264.33 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(phenoxymethyl)-3H-pyrazole is sourced from PubChem (CID 71067139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).