[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone

C16H22F3N3O — CID 56779273

IUPAC[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCCCC1C(F)(F)F)N1CCCC1Cn1cccn1
InChIInChI=1S/C16H22F3N3O/c17-16(18,19)14-7-2-1-6-13(14)15(23)22-10-3-5-12(22)11-21-9-4-8-20-21/h4,8-9,12-14H,1-3,5-7,10-11H2
InChIKeyICHHLMIYPPHQFV-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.24
Rot. Bonds3

About [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone

[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 56779273) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
PubChem CID56779273
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC Name[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCCCC1C(F)(F)F)N1CCCC1Cn1cccn1
InChIInChI=1S/C16H22F3N3O/c17-16(18,19)14-7-2-1-6-13(14)15(23)22-10-3-5-12(22)11-21-9-4-8-20-21/h4,8-9,12-14H,1-3,5-7,10-11H2
InChIKeyICHHLMIYPPHQFV-UHFFFAOYSA-N
XLogP3.24
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone (CID 56779273) is [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone is O=C(C1CCCCC1C(F)(F)F)N1CCCC1Cn1cccn1.
What is the InChIKey of [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is ICHHLMIYPPHQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O/c17-16(18,19)14-7-2-1-6-13(14)15(23)22-10-3-5-12(22)11-21-9-4-8-20-21/h4,8-9,12-14H,1-3,5-7,10-11H2.
What are the key properties of [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 329.37 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 56779273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).