3,4,5-trimethyl-1-phenylpyrazole

C12H14N2 — CID 604118

IUPAC3,4,5-trimethyl-1-phenylpyrazole
SMILESCc1nn(-c2ccccc2)c(C)c1C
InChIInChI=1S/C12H14N2/c1-9-10(2)13-14(11(9)3)12-7-5-4-6-8-12/h4-8H,1-3H3
InChIKeyUZHVNGNURWBNRG-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.80
Rot. Bonds1

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

3,4,5-trimethyl-1-phenylpyrazole (PubChem CID 604118) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 3,4,5-trimethyl-1-phenylpyrazole.

Molecular Properties

Compound Name3,4,5-trimethyl-1-phenylpyrazole
PubChem CID604118
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name3,4,5-trimethyl-1-phenylpyrazole
SMILESCc1nn(-c2ccccc2)c(C)c1C
InChIInChI=1S/C12H14N2/c1-9-10(2)13-14(11(9)3)12-7-5-4-6-8-12/h4-8H,1-3H3
InChIKeyUZHVNGNURWBNRG-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-1-phenylpyrazole?
The IUPAC name of 3,4,5-trimethyl-1-phenylpyrazole (CID 604118) is 3,4,5-trimethyl-1-phenylpyrazole.
What is the SMILES notation for 3,4,5-trimethyl-1-phenylpyrazole?
The canonical SMILES for 3,4,5-trimethyl-1-phenylpyrazole is Cc1nn(-c2ccccc2)c(C)c1C.
What is the InChIKey of 3,4,5-trimethyl-1-phenylpyrazole?
The InChIKey is UZHVNGNURWBNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-10(2)13-14(11(9)3)12-7-5-4-6-8-12/h4-8H,1-3H3.
What are the key properties of 3,4,5-trimethyl-1-phenylpyrazole?
3,4,5-trimethyl-1-phenylpyrazole has a molecular weight of 186.26 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-1-phenylpyrazole is sourced from PubChem (CID 604118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).