1,5-dimethyl-3-(phenoxymethyl)pyrazole

C12H14N2O — CID 82076625

IUPAC1,5-dimethyl-3-(phenoxymethyl)pyrazole
SMILESCc1cc(COc2ccccc2)nn1C
InChIInChI=1S/C12H14N2O/c1-10-8-11(13-14(10)2)9-15-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChIKeyCSICJFXPWZIGSK-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.31
Rot. Bonds3

About 1,5-dimethyl-3-(phenoxymethyl)pyrazole

1,5-dimethyl-3-(phenoxymethyl)pyrazole (PubChem CID 82076625) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1,5-dimethyl-3-(phenoxymethyl)pyrazole.

Molecular Properties

Compound Name1,5-dimethyl-3-(phenoxymethyl)pyrazole
PubChem CID82076625
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1,5-dimethyl-3-(phenoxymethyl)pyrazole
SMILESCc1cc(COc2ccccc2)nn1C
InChIInChI=1S/C12H14N2O/c1-10-8-11(13-14(10)2)9-15-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChIKeyCSICJFXPWZIGSK-UHFFFAOYSA-N
XLogP2.31
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(phenoxymethyl)pyrazole?
The IUPAC name of 1,5-dimethyl-3-(phenoxymethyl)pyrazole (CID 82076625) is 1,5-dimethyl-3-(phenoxymethyl)pyrazole.
What is the SMILES notation for 1,5-dimethyl-3-(phenoxymethyl)pyrazole?
The canonical SMILES for 1,5-dimethyl-3-(phenoxymethyl)pyrazole is Cc1cc(COc2ccccc2)nn1C.
What is the InChIKey of 1,5-dimethyl-3-(phenoxymethyl)pyrazole?
The InChIKey is CSICJFXPWZIGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-10-8-11(13-14(10)2)9-15-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3.
What are the key properties of 1,5-dimethyl-3-(phenoxymethyl)pyrazole?
1,5-dimethyl-3-(phenoxymethyl)pyrazole has a molecular weight of 202.26 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(phenoxymethyl)pyrazole is sourced from PubChem (CID 82076625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).