4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole

C12H15F3N2 — CID 90162174

IUPAC4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)n1cc(C2=CCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C12H15F3N2/c1-8(2)17-7-10(9-5-3-4-6-9)11(16-17)12(13,14)15/h5,7-8H,3-4,6H2,1-2H3
InChIKeyDPBABXUQUIGUIV-UHFFFAOYSA-N
MW244.26 g/mol
LogP4.05
Rot. Bonds2

About 4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole

4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 90162174) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID90162174
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)n1cc(C2=CCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C12H15F3N2/c1-8(2)17-7-10(9-5-3-4-6-9)11(16-17)12(13,14)15/h5,7-8H,3-4,6H2,1-2H3
InChIKeyDPBABXUQUIGUIV-UHFFFAOYSA-N
XLogP4.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 90162174) is 4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole is CC(C)n1cc(C2=CCCC2)c(C(F)(F)F)n1.
What is the InChIKey of 4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is DPBABXUQUIGUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-8(2)17-7-10(9-5-3-4-6-9)11(16-17)12(13,14)15/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 244.26 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 90162174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).