3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole

C11H16F2N2 — CID 90162060

IUPAC3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESCC(C)n1nc(C(C)(F)F)c2c1CCC2
InChIInChI=1S/C11H16F2N2/c1-7(2)15-9-6-4-5-8(9)10(14-15)11(3,12)13/h7H,4-6H2,1-3H3
InChIKeyNNPLFRPWLBUQBQ-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.06
Rot. Bonds2

About 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole

3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole (PubChem CID 90162060) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole
PubChem CID90162060
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESCC(C)n1nc(C(C)(F)F)c2c1CCC2
InChIInChI=1S/C11H16F2N2/c1-7(2)15-9-6-4-5-8(9)10(14-15)11(3,12)13/h7H,4-6H2,1-3H3
InChIKeyNNPLFRPWLBUQBQ-UHFFFAOYSA-N
XLogP3.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]propan-1-amine
CID 19614695
(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
(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)methanamine
CID 71757240
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
Pyrazole, 5-(2-methyl-2,3-butadienyl)-1,3,4-trimethyl-
CID 140239
4-Tert-butyl-1,3-diethyl-5-fluoropyrazole
CID 57709478
4-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3,5-trimethylpyrazole
CID 58183059

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The IUPAC name of 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole (CID 90162060) is 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole.
What is the SMILES notation for 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The canonical SMILES for 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole is CC(C)n1nc(C(C)(F)F)c2c1CCC2.
What is the InChIKey of 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The InChIKey is NNPLFRPWLBUQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c1-7(2)15-9-6-4-5-8(9)10(14-15)11(3,12)13/h7H,4-6H2,1-3H3.
What are the key properties of 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole has a molecular weight of 214.26 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole is sourced from PubChem (CID 90162060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).