2-cyclohexyl-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone

C15H20F3N3O — CID 144973715

IUPAC2-cyclohexyl-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCc2c(C(F)(F)F)n[nH]c2C1
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)14-11-6-7-21(9-12(11)19-20-14)13(22)8-10-4-2-1-3-5-10/h10H,1-9H2,(H,19,20)
InChIKeyMHPUMRIPTQHASM-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.28
Rot. Bonds2

About 2-cyclohexyl-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone

2-cyclohexyl-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone (PubChem CID 144973715) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is 2-cyclohexyl-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone
PubChem CID144973715
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC Name2-cyclohexyl-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCc2c(C(F)(F)F)n[nH]c2C1
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)14-11-6-7-21(9-12(11)19-20-14)13(22)8-10-4-2-1-3-5-10/h10H,1-9H2,(H,19,20)
InChIKeyMHPUMRIPTQHASM-UHFFFAOYSA-N
XLogP3.28
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone (CID 144973715) is 2-cyclohexyl-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone is O=C(CC1CCCCC1)N1CCc2c(C(F)(F)F)n[nH]c2C1.
What is the InChIKey of 2-cyclohexyl-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone?
The InChIKey is MHPUMRIPTQHASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c16-15(17,18)14-11-6-7-21(9-12(11)19-20-14)13(22)8-10-4-2-1-3-5-10/h10H,1-9H2,(H,19,20).
What are the key properties of 2-cyclohexyl-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone?
2-cyclohexyl-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone has a molecular weight of 315.34 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone is sourced from PubChem (CID 144973715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).