2-pyrazol-1-yl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]ethanone

C18H20F3N5O — CID 74826160

IUPAC2-pyrazol-1-yl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESO=C(Cn1cccn1)N1CCC2NNC(c3ccc(C(F)(F)F)cc3)C2C1
InChIInChI=1S/C18H20F3N5O/c19-18(20,21)13-4-2-12(3-5-13)17-14-10-25(9-6-15(14)23-24-17)16(27)11-26-8-1-7-22-26/h1-5,7-8,14-15,17,23-24H,6,9-11H2
InChIKeyPTYRJNMZLVIYTG-UHFFFAOYSA-N
MW379.39 g/mol
LogP1.97
Rot. Bonds3

About 2-pyrazol-1-yl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]ethanone

2-pyrazol-1-yl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 74826160) has the molecular formula C18H20F3N5O and a molecular weight of 379.39 g/mol. Its IUPAC name is 2-pyrazol-1-yl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-pyrazol-1-yl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID74826160
Molecular FormulaC18H20F3N5O
Molecular Weight379.39 g/mol
Exact Mass379.16
IUPAC Name2-pyrazol-1-yl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESO=C(Cn1cccn1)N1CCC2NNC(c3ccc(C(F)(F)F)cc3)C2C1
InChIInChI=1S/C18H20F3N5O/c19-18(20,21)13-4-2-12(3-5-13)17-14-10-25(9-6-15(14)23-24-17)16(27)11-26-8-1-7-22-26/h1-5,7-8,14-15,17,23-24H,6,9-11H2
InChIKeyPTYRJNMZLVIYTG-UHFFFAOYSA-N
XLogP1.97
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-pyrazol-1-yl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Related Compounds

(2-methylpyrazol-3-yl)-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 74775041
3-[1-(2-pyrazol-1-ylacetyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 45215023
1-[3-(4-chlorophenyl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 118765182
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 62349582
(4aS,7aS)-6-(2-pyrazol-1-ylacetyl)-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-b][1,4]oxazin-3-one
CID 110139983
1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone
CID 63106745
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 56822661
3-pyrazol-1-yl-1-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 42286062
1-(7-phenyl-1,4-thiazepan-4-yl)-2-pyrazol-1-ylethanone
CID 90629468
1-[(3aS,4S,6aR)-4-phenoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-pyrazol-1-ylethanone
CID 110121556
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 63263322
1-(4-amino-3-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride
CID 119592480

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-pyrazol-1-yl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 74826160) is 2-pyrazol-1-yl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-pyrazol-1-yl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-pyrazol-1-yl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is O=C(Cn1cccn1)N1CCC2NNC(c3ccc(C(F)(F)F)cc3)C2C1.
What is the InChIKey of 2-pyrazol-1-yl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is PTYRJNMZLVIYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O/c19-18(20,21)13-4-2-12(3-5-13)17-14-10-25(9-6-15(14)23-24-17)16(27)11-26-8-1-7-22-26/h1-5,7-8,14-15,17,23-24H,6,9-11H2.
What are the key properties of 2-pyrazol-1-yl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
2-pyrazol-1-yl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 379.39 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 74826160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).