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

C18H20F3N5O — CID 74775041

IUPAC(2-methylpyrazol-3-yl)-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCn1nccc1C(=O)N1CCC2NNC(c3ccc(C(F)(F)F)cc3)C2C1
InChIInChI=1S/C18H20F3N5O/c1-25-15(6-8-22-25)17(27)26-9-7-14-13(10-26)16(24-23-14)11-2-4-12(5-3-11)18(19,20)21/h2-6,8,13-14,16,23-24H,7,9-10H2,1H3
InChIKeyGYJGNPZTORJFEY-UHFFFAOYSA-N
MW379.39 g/mol
LogP2.12
Rot. Bonds2

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

(2-methylpyrazol-3-yl)-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 74775041) has the molecular formula C18H20F3N5O and a molecular weight of 379.39 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID74775041
Molecular FormulaC18H20F3N5O
Molecular Weight379.39 g/mol
Exact Mass379.16
IUPAC Name(2-methylpyrazol-3-yl)-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCn1nccc1C(=O)N1CCC2NNC(c3ccc(C(F)(F)F)cc3)C2C1
InChIInChI=1S/C18H20F3N5O/c1-25-15(6-8-22-25)17(27)26-9-7-14-13(10-26)16(24-23-14)11-2-4-12(5-3-11)18(19,20)21/h2-6,8,13-14,16,23-24H,7,9-10H2,1H3
InChIKeyGYJGNPZTORJFEY-UHFFFAOYSA-N
XLogP2.12
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
(2-methylpyrazol-3-yl)-[3-(2-phenylethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 85480519
1-(2-methylpyrazole-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918339
(2-methylpyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129416553
(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917576
(4-bromo-3-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 114683538
(1-methylindol-3-yl)-(3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 75258654
[(3S)-3-methylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 81428793
[3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 11191772
(2-methylpyrazol-3-yl)-[(3S)-3-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone
CID 95831685
(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 61297196
(2-methylpyrazol-3-yl)-[4-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone
CID 92566215

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of (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) is (2-methylpyrazol-3-yl)-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone is Cn1nccc1C(=O)N1CCC2NNC(c3ccc(C(F)(F)F)cc3)C2C1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is GYJGNPZTORJFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O/c1-25-15(6-8-22-25)17(27)26-9-7-14-13(10-26)16(24-23-14)11-2-4-12(5-3-11)18(19,20)21/h2-6,8,13-14,16,23-24H,7,9-10H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
(2-methylpyrazol-3-yl)-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 379.39 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[3-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 74775041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).