3-ethyl-4-(4-methoxyphenyl)-1-methylpyrazole

C13H16N2O — CID 70834828

IUPAC3-ethyl-4-(4-methoxyphenyl)-1-methylpyrazole
SMILESCCc1nn(C)cc1-c1ccc(OC)cc1
InChIInChI=1S/C13H16N2O/c1-4-13-12(9-15(2)14-13)10-5-7-11(16-3)8-6-10/h5-9H,4H2,1-3H3
InChIKeyDFAHCRURTMCQSB-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.66
Rot. Bonds3

About 3-ethyl-4-(4-methoxyphenyl)-1-methylpyrazole

3-ethyl-4-(4-methoxyphenyl)-1-methylpyrazole (PubChem CID 70834828) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-ethyl-4-(4-methoxyphenyl)-1-methylpyrazole.

Molecular Properties

Compound Name3-ethyl-4-(4-methoxyphenyl)-1-methylpyrazole
PubChem CID70834828
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-ethyl-4-(4-methoxyphenyl)-1-methylpyrazole
SMILESCCc1nn(C)cc1-c1ccc(OC)cc1
InChIInChI=1S/C13H16N2O/c1-4-13-12(9-15(2)14-13)10-5-7-11(16-3)8-6-10/h5-9H,4H2,1-3H3
InChIKeyDFAHCRURTMCQSB-UHFFFAOYSA-N
XLogP2.66
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(4-methoxyphenyl)-1-methylpyrazole?
The IUPAC name of 3-ethyl-4-(4-methoxyphenyl)-1-methylpyrazole (CID 70834828) is 3-ethyl-4-(4-methoxyphenyl)-1-methylpyrazole.
What is the SMILES notation for 3-ethyl-4-(4-methoxyphenyl)-1-methylpyrazole?
The canonical SMILES for 3-ethyl-4-(4-methoxyphenyl)-1-methylpyrazole is CCc1nn(C)cc1-c1ccc(OC)cc1.
What is the InChIKey of 3-ethyl-4-(4-methoxyphenyl)-1-methylpyrazole?
The InChIKey is DFAHCRURTMCQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-4-13-12(9-15(2)14-13)10-5-7-11(16-3)8-6-10/h5-9H,4H2,1-3H3.
What are the key properties of 3-ethyl-4-(4-methoxyphenyl)-1-methylpyrazole?
3-ethyl-4-(4-methoxyphenyl)-1-methylpyrazole has a molecular weight of 216.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(4-methoxyphenyl)-1-methylpyrazole is sourced from PubChem (CID 70834828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).