2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole

C10H13F3N2 — CID 90162068

IUPAC2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCC(C)n1nc2c(c1C(F)(F)F)CCC2
InChIInChI=1S/C10H13F3N2/c1-6(2)15-9(10(11,12)13)7-4-3-5-8(7)14-15/h6H,3-5H2,1-2H3
InChIKeyITKMWCMVSVRTHW-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.97
Rot. Bonds1

About 2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole

2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole (PubChem CID 90162068) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole.

Molecular Properties

Compound Name2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
PubChem CID90162068
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCC(C)n1nc2c(c1C(F)(F)F)CCC2
InChIInChI=1S/C10H13F3N2/c1-6(2)15-9(10(11,12)13)7-4-3-5-8(7)14-15/h6H,3-5H2,1-2H3
InChIKeyITKMWCMVSVRTHW-UHFFFAOYSA-N
XLogP2.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(trifluoromethyl)-1H,4H,5H,6H-cyclopenta[c]pyrazol-1-yl]acetic acid
CID 653577
3-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]propan-1-amine
CID 19614695
Methyl 5,6-dihydro-3-(trifluoromethyl)-1(4H)-cyclopentapyrazoleacetate
CID 788045
3-(Difluoromethyl)-5,6-dihydro-1(4H)-cyclopentapyrazoleacetic acid
CID 19614722
(1-methyl-1H,4H,5H,6H-cyclopenta(c)pyrazol-3-yl)methanamine
CID 28808654
N-cyclohexyl-N-methyl-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamide
CID 1129754
3-(3-(Trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl)propanenitrile
CID 25247413
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 12031296
2-[3-(trifluoromethyl)-1H,4H,5H,6H-cyclopenta[c]pyrazol-1-yl]propanoic acid
CID 19616916
3-ethynyl-2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazole
CID 177798343
1,3,5-Trimethyl-4-propylpyrazole
CID 13792879
4-Butyl-1,3,5-trimethylpyrazole
CID 127012036

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The IUPAC name of 2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole (CID 90162068) is 2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole.
What is the SMILES notation for 2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The canonical SMILES for 2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole is CC(C)n1nc2c(c1C(F)(F)F)CCC2.
What is the InChIKey of 2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The InChIKey is ITKMWCMVSVRTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-6(2)15-9(10(11,12)13)7-4-3-5-8(7)14-15/h6H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole has a molecular weight of 218.22 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole is sourced from PubChem (CID 90162068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).