5-cyclopenta-1,4-dien-1-yl-1,3,4-trimethylpyrazole

C11H14N2 — CID 129133813

IUPAC5-cyclopenta-1,4-dien-1-yl-1,3,4-trimethylpyrazole
SMILESCc1nn(C)c(C2=CCC=C2)c1C
InChIInChI=1S/C11H14N2/c1-8-9(2)12-13(3)11(8)10-6-4-5-7-10/h4,6-7H,5H2,1-3H3
InChIKeySWZBKJUEUQSEEE-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.38
Rot. Bonds1

About 5-cyclopenta-1,4-dien-1-yl-1,3,4-trimethylpyrazole

5-cyclopenta-1,4-dien-1-yl-1,3,4-trimethylpyrazole (PubChem CID 129133813) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 5-cyclopenta-1,4-dien-1-yl-1,3,4-trimethylpyrazole.

Molecular Properties

Compound Name5-cyclopenta-1,4-dien-1-yl-1,3,4-trimethylpyrazole
PubChem CID129133813
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name5-cyclopenta-1,4-dien-1-yl-1,3,4-trimethylpyrazole
SMILESCc1nn(C)c(C2=CCC=C2)c1C
InChIInChI=1S/C11H14N2/c1-8-9(2)12-13(3)11(8)10-6-4-5-7-10/h4,6-7H,5H2,1-3H3
InChIKeySWZBKJUEUQSEEE-UHFFFAOYSA-N
XLogP2.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopenta-1,4-dien-1-yl-1,3,4-trimethylpyrazole?
The IUPAC name of 5-cyclopenta-1,4-dien-1-yl-1,3,4-trimethylpyrazole (CID 129133813) is 5-cyclopenta-1,4-dien-1-yl-1,3,4-trimethylpyrazole.
What is the SMILES notation for 5-cyclopenta-1,4-dien-1-yl-1,3,4-trimethylpyrazole?
The canonical SMILES for 5-cyclopenta-1,4-dien-1-yl-1,3,4-trimethylpyrazole is Cc1nn(C)c(C2=CCC=C2)c1C.
What is the InChIKey of 5-cyclopenta-1,4-dien-1-yl-1,3,4-trimethylpyrazole?
The InChIKey is SWZBKJUEUQSEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-8-9(2)12-13(3)11(8)10-6-4-5-7-10/h4,6-7H,5H2,1-3H3.
What are the key properties of 5-cyclopenta-1,4-dien-1-yl-1,3,4-trimethylpyrazole?
5-cyclopenta-1,4-dien-1-yl-1,3,4-trimethylpyrazole has a molecular weight of 174.25 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopenta-1,4-dien-1-yl-1,3,4-trimethylpyrazole is sourced from PubChem (CID 129133813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).