1-(1-cyclopentylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one

C13H17F3N2O — CID 79952722

IUPAC1-(1-cyclopentylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one
SMILESO=C(CCC(F)(F)F)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)7-5-12(19)9-10-6-8-18(17-10)11-3-1-2-4-11/h6,8,11H,1-5,7,9H2
InChIKeySRENJZVMHQYWGI-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.45
Rot. Bonds5

About 1-(1-cyclopentylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one

1-(1-cyclopentylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one (PubChem CID 79952722) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one
PubChem CID79952722
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name1-(1-cyclopentylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one
SMILESO=C(CCC(F)(F)F)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)7-5-12(19)9-10-6-8-18(17-10)11-3-1-2-4-11/h6,8,11H,1-5,7,9H2
InChIKeySRENJZVMHQYWGI-UHFFFAOYSA-N
XLogP3.45
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one
CID 113291145
1-(1-cyclohexylpyrazol-3-yl)hexan-2-one
CID 79405981
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one
CID 116559419
1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
CID 64784318
1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116589010
1-(1-cyclopentylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-one
CID 114977442
1-(cyclopentylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116559185
4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one
CID 116556039
1-(1-cyclopentylpyrazol-3-yl)-3-(thian-4-yl)propan-2-one
CID 105107351
1-(1-cyclohexylpyrazol-3-yl)-4,5,5-trimethylhexan-2-one
CID 114975039
1-(1-cyclopentylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-one
CID 105107258

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one?
The IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one (CID 79952722) is 1-(1-cyclopentylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one?
The canonical SMILES for 1-(1-cyclopentylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one is O=C(CCC(F)(F)F)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 1-(1-cyclopentylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one?
The InChIKey is SRENJZVMHQYWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-13(15,16)7-5-12(19)9-10-6-8-18(17-10)11-3-1-2-4-11/h6,8,11H,1-5,7,9H2.
What are the key properties of 1-(1-cyclopentylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one?
1-(1-cyclopentylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one has a molecular weight of 274.29 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one is sourced from PubChem (CID 79952722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).