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

C19H25N5O — CID 85480519

IUPAC(2-methylpyrazol-3-yl)-[3-(2-phenylethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCn1nccc1C(=O)N1CCC2NNC(CCc3ccccc3)C2C1
InChIInChI=1S/C19H25N5O/c1-23-18(9-11-20-23)19(25)24-12-10-17-15(13-24)16(21-22-17)8-7-14-5-3-2-4-6-14/h2-6,9,11,15-17,21-22H,7-8,10,12-13H2,1H3
InChIKeyXSFARRQPNHJKKE-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.36
Rot. Bonds4

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

(2-methylpyrazol-3-yl)-[3-(2-phenylethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 85480519) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[3-(2-phenylethyl)-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-(2-phenylethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID85480519
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(2-methylpyrazol-3-yl)-[3-(2-phenylethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCn1nccc1C(=O)N1CCC2NNC(CCc3ccccc3)C2C1
InChIInChI=1S/C19H25N5O/c1-23-18(9-11-20-23)19(25)24-12-10-17-15(13-24)16(21-22-17)8-7-14-5-3-2-4-6-14/h2-6,9,11,15-17,21-22H,7-8,10,12-13H2,1H3
InChIKeyXSFARRQPNHJKKE-UHFFFAOYSA-N
XLogP1.36
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2-methylpyrazol-3-yl)-[3-(2-phenylethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

1-(2-methylpyrazole-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918339
(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
(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917576
(3S)-3-methyl-3-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-1-(2-phenylethyl)azepan-2-one
CID 92631297
[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 42459967
[(3R)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 25374189
(4-bromo-3-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 114683538
(2-methylpyrazol-3-yl)-[(3S)-3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95107346
[(3S)-3-methylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 81428793
[(3aR,6aS)-3a-(2-phenylethyl)-2-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-methylpyrazol-3-yl)methanone
CID 166615372
(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 61297196
(2-methylpyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 121019588

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[3-(2-phenylethyl)-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-(2-phenylethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone (CID 85480519) is (2-methylpyrazol-3-yl)-[3-(2-phenylethyl)-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-(2-phenylethyl)-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-(2-phenylethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone is Cn1nccc1C(=O)N1CCC2NNC(CCc3ccccc3)C2C1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[3-(2-phenylethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is XSFARRQPNHJKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-23-18(9-11-20-23)19(25)24-12-10-17-15(13-24)16(21-22-17)8-7-14-5-3-2-4-6-14/h2-6,9,11,15-17,21-22H,7-8,10,12-13H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-[3-(2-phenylethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
(2-methylpyrazol-3-yl)-[3-(2-phenylethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 1.36, 4 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-(2-phenylethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 85480519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).