3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanenitrile

C10H10F3N3 — CID 25247413

IUPAC3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanenitrile
SMILESN#CCCn1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C10H10F3N3/c11-10(12,13)9-7-3-1-4-8(7)16(15-9)6-2-5-14/h1-4,6H2
InChIKeyUGXRIIOQCFCRBR-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.30
Rot. Bonds2

About 3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanenitrile

3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanenitrile (PubChem CID 25247413) has the molecular formula C10H10F3N3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanenitrile
PubChem CID25247413
Molecular FormulaC10H10F3N3
Molecular Weight229.20 g/mol
Exact Mass229.08
IUPAC Name3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanenitrile
SMILESN#CCCn1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C10H10F3N3/c11-10(12,13)9-7-3-1-4-8(7)16(15-9)6-2-5-14/h1-4,6H2
InChIKeyUGXRIIOQCFCRBR-UHFFFAOYSA-N
XLogP2.30
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
3-(3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)propanenitrile
CID 19576796
3-ethynyl-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 177798343
4-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3,5-trimethylpyrazole
CID 58183059
2-[4-Ethyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetonitrile
CID 71190456
5,5-Difluoro-8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene
CID 71204296
4-Cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 71204299
4-Cyclopropyl-5-methyl-1-propyl-3-(trifluoromethyl)pyrazole
CID 71204348
1,5-Dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole
CID 88529376
1-Methyl-3-(1,1,2,2,2-pentafluoroethyl)-5-propan-2-yl-4-(trifluoromethyl)pyrazole
CID 89842455
1-Methyl-5-propan-2-yl-3-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)pyrazole
CID 89843544

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanenitrile?
The IUPAC name of 3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanenitrile (CID 25247413) is 3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanenitrile.
What is the SMILES notation for 3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanenitrile?
The canonical SMILES for 3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanenitrile is N#CCCn1nc(C(F)(F)F)c2c1CCC2.
What is the InChIKey of 3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanenitrile?
The InChIKey is UGXRIIOQCFCRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3/c11-10(12,13)9-7-3-1-4-8(7)16(15-9)6-2-5-14/h1-4,6H2.
What are the key properties of 3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanenitrile?
3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanenitrile has a molecular weight of 229.20 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 25247413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).