1,3,5-trimethyl-4-phenylpyrazole

C12H14N2 — CID 14176838

IUPAC1,3,5-trimethyl-4-phenylpyrazole
SMILESCc1nn(C)c(C)c1-c1ccccc1
InChIInChI=1S/C12H14N2/c1-9-12(10(2)14(3)13-9)11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKeyDUUZIDWEFIXQOS-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.70
Rot. Bonds1

About 1,3,5-trimethyl-4-phenylpyrazole

1,3,5-trimethyl-4-phenylpyrazole (PubChem CID 14176838) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1,3,5-trimethyl-4-phenylpyrazole.

Molecular Properties

Compound Name1,3,5-trimethyl-4-phenylpyrazole
PubChem CID14176838
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1,3,5-trimethyl-4-phenylpyrazole
SMILESCc1nn(C)c(C)c1-c1ccccc1
InChIInChI=1S/C12H14N2/c1-9-12(10(2)14(3)13-9)11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKeyDUUZIDWEFIXQOS-UHFFFAOYSA-N
XLogP2.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-4-phenylpyrazole?
The IUPAC name of 1,3,5-trimethyl-4-phenylpyrazole (CID 14176838) is 1,3,5-trimethyl-4-phenylpyrazole.
What is the SMILES notation for 1,3,5-trimethyl-4-phenylpyrazole?
The canonical SMILES for 1,3,5-trimethyl-4-phenylpyrazole is Cc1nn(C)c(C)c1-c1ccccc1.
What is the InChIKey of 1,3,5-trimethyl-4-phenylpyrazole?
The InChIKey is DUUZIDWEFIXQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-12(10(2)14(3)13-9)11-7-5-4-6-8-11/h4-8H,1-3H3.
What are the key properties of 1,3,5-trimethyl-4-phenylpyrazole?
1,3,5-trimethyl-4-phenylpyrazole has a molecular weight of 186.26 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-4-phenylpyrazole is sourced from PubChem (CID 14176838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).