4,5-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole

C9H11F3N2 — CID 139425187

IUPAC4,5-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
SMILESCC1Cc2[nH]nc(C(F)(F)F)c2C1C
InChIInChI=1S/C9H11F3N2/c1-4-3-6-7(5(4)2)8(14-13-6)9(10,11)12/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyMGURPEHDSZCDDE-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.72
Rot. Bonds

About 4,5-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole

4,5-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole (PubChem CID 139425187) has the molecular formula C9H11F3N2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 4,5-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole.

Molecular Properties

Compound Name4,5-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
PubChem CID139425187
Molecular FormulaC9H11F3N2
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name4,5-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
SMILESCC1Cc2[nH]nc(C(F)(F)F)c2C1C
InChIInChI=1S/C9H11F3N2/c1-4-3-6-7(5(4)2)8(14-13-6)9(10,11)12/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyMGURPEHDSZCDDE-UHFFFAOYSA-N
XLogP2.72
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole?
The IUPAC name of 4,5-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole (CID 139425187) is 4,5-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole.
What is the SMILES notation for 4,5-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole?
The canonical SMILES for 4,5-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole is CC1Cc2[nH]nc(C(F)(F)F)c2C1C.
What is the InChIKey of 4,5-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole?
The InChIKey is MGURPEHDSZCDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c1-4-3-6-7(5(4)2)8(14-13-6)9(10,11)12/h4-5H,3H2,1-2H3,(H,13,14).
What are the key properties of 4,5-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole?
4,5-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole has a molecular weight of 204.19 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole is sourced from PubChem (CID 139425187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).