1-ethyl-3-methyl-4-phenylpyrazole

C12H14N2 — CID 59678081

IUPAC1-ethyl-3-methyl-4-phenylpyrazole
SMILESCCn1cc(-c2ccccc2)c(C)n1
InChIInChI=1S/C12H14N2/c1-3-14-9-12(10(2)13-14)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKeyQTFVCOVNXVKXGR-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.88
Rot. Bonds2

About 1-ethyl-3-methyl-4-phenylpyrazole

1-ethyl-3-methyl-4-phenylpyrazole (PubChem CID 59678081) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-ethyl-3-methyl-4-phenylpyrazole.

Molecular Properties

Compound Name1-ethyl-3-methyl-4-phenylpyrazole
PubChem CID59678081
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-ethyl-3-methyl-4-phenylpyrazole
SMILESCCn1cc(-c2ccccc2)c(C)n1
InChIInChI=1S/C12H14N2/c1-3-14-9-12(10(2)13-14)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKeyQTFVCOVNXVKXGR-UHFFFAOYSA-N
XLogP2.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-4-phenylpyrazole?
The IUPAC name of 1-ethyl-3-methyl-4-phenylpyrazole (CID 59678081) is 1-ethyl-3-methyl-4-phenylpyrazole.
What is the SMILES notation for 1-ethyl-3-methyl-4-phenylpyrazole?
The canonical SMILES for 1-ethyl-3-methyl-4-phenylpyrazole is CCn1cc(-c2ccccc2)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-4-phenylpyrazole?
The InChIKey is QTFVCOVNXVKXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-3-14-9-12(10(2)13-14)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-4-phenylpyrazole?
1-ethyl-3-methyl-4-phenylpyrazole has a molecular weight of 186.26 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-4-phenylpyrazole is sourced from PubChem (CID 59678081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).