pyrrolidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone

C9H10F3N3O — CID 118526681

IUPACpyrrolidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESO=C(N1CCCC1)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)7-5-13-15(6-7)8(16)14-3-1-2-4-14/h5-6H,1-4H2
InChIKeyCOEIAGSFRSKSLP-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.97
Rot. Bonds

About pyrrolidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone

pyrrolidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone (PubChem CID 118526681) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is pyrrolidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone
PubChem CID118526681
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Namepyrrolidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESO=C(N1CCCC1)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)7-5-13-15(6-7)8(16)14-3-1-2-4-14/h5-6H,1-4H2
InChIKeyCOEIAGSFRSKSLP-UHFFFAOYSA-N
XLogP1.97
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone (CID 118526681) is pyrrolidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone is O=C(N1CCCC1)n1cc(C(F)(F)F)cn1.
What is the InChIKey of pyrrolidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The InChIKey is COEIAGSFRSKSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c10-9(11,12)7-5-13-15(6-7)8(16)14-3-1-2-4-14/h5-6H,1-4H2.
What are the key properties of pyrrolidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
pyrrolidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone has a molecular weight of 233.19 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone is sourced from PubChem (CID 118526681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).