3-ethyl-5-(phenylmethoxymethyl)-1H-pyrazole

C13H16N2O — CID 174844882

IUPAC3-ethyl-5-(phenylmethoxymethyl)-1H-pyrazole
SMILESCCc1cc(COCc2ccccc2)[nH]n1
InChIInChI=1S/C13H16N2O/c1-2-12-8-13(15-14-12)10-16-9-11-6-4-3-5-7-11/h3-8H,2,9-10H2,1H3,(H,14,15)
InChIKeyIJLODACZUUIANP-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.69
Rot. Bonds5

About 3-ethyl-5-(phenylmethoxymethyl)-1H-pyrazole

3-ethyl-5-(phenylmethoxymethyl)-1H-pyrazole (PubChem CID 174844882) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-ethyl-5-(phenylmethoxymethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-ethyl-5-(phenylmethoxymethyl)-1H-pyrazole
PubChem CID174844882
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-ethyl-5-(phenylmethoxymethyl)-1H-pyrazole
SMILESCCc1cc(COCc2ccccc2)[nH]n1
InChIInChI=1S/C13H16N2O/c1-2-12-8-13(15-14-12)10-16-9-11-6-4-3-5-7-11/h3-8H,2,9-10H2,1H3,(H,14,15)
InChIKeyIJLODACZUUIANP-UHFFFAOYSA-N
XLogP2.69
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(phenylmethoxymethyl)-1H-pyrazole?
The IUPAC name of 3-ethyl-5-(phenylmethoxymethyl)-1H-pyrazole (CID 174844882) is 3-ethyl-5-(phenylmethoxymethyl)-1H-pyrazole.
What is the SMILES notation for 3-ethyl-5-(phenylmethoxymethyl)-1H-pyrazole?
The canonical SMILES for 3-ethyl-5-(phenylmethoxymethyl)-1H-pyrazole is CCc1cc(COCc2ccccc2)[nH]n1.
What is the InChIKey of 3-ethyl-5-(phenylmethoxymethyl)-1H-pyrazole?
The InChIKey is IJLODACZUUIANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-12-8-13(15-14-12)10-16-9-11-6-4-3-5-7-11/h3-8H,2,9-10H2,1H3,(H,14,15).
What are the key properties of 3-ethyl-5-(phenylmethoxymethyl)-1H-pyrazole?
3-ethyl-5-(phenylmethoxymethyl)-1H-pyrazole has a molecular weight of 216.28 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(phenylmethoxymethyl)-1H-pyrazole is sourced from PubChem (CID 174844882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).