5-methyl-3-phenyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one

C17H18N4O — CID 74068885

IUPAC5-methyl-3-phenyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
SMILESCN1C(=O)C2NNC(c3ccccc3)C2C1c1ccccn1
InChIInChI=1S/C17H18N4O/c1-21-16(12-9-5-6-10-18-12)13-14(11-7-3-2-4-8-11)19-20-15(13)17(21)22/h2-10,13-16,19-20H,1H3
InChIKeyNSPIWIOJFJKOSW-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.43
Rot. Bonds2

About 5-methyl-3-phenyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one

5-methyl-3-phenyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 74068885) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-methyl-3-phenyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name5-methyl-3-phenyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID74068885
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name5-methyl-3-phenyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
SMILESCN1C(=O)C2NNC(c3ccccc3)C2C1c1ccccn1
InChIInChI=1S/C17H18N4O/c1-21-16(12-9-5-6-10-18-12)13-14(11-7-3-2-4-8-11)19-20-15(13)17(21)22/h2-10,13-16,19-20H,1H3
InChIKeyNSPIWIOJFJKOSW-UHFFFAOYSA-N
XLogP1.43
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
CID 75084202
(4S,5S)-1-methyl-4,5-diphenylimidazolidin-2-one
CID 11831915
(3R,4S)-3-amino-1-[(1R)-1-phenylethyl]-4-pyridin-2-ylazetidin-2-one
CID 57238552
(3R,4S)-1-methyl-3,4-diphenylazetidin-2-one
CID 122372873
5-(4-bromophenyl)-3-(4-ethoxyphenyl)-4-phenyl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
CID 73217484
(2R,4S)-N,N-dimethyl-4-phenyl-2-pyridin-2-yl-1,3-thiazolidin-5-amine
CID 67144836
(3R,4R)-3-fluoro-1-methyl-4-phenylazetidin-2-one
CID 14984605
(1R,3R,3aR,6aS)-5-methyl-1-[(E)-2-phenylethenyl]-3-pyridin-2-yl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 102263399
2-(diaziridin-3-yl)pyridine
CID 163685048
3-(3-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
CID 74068914
(2R,3S)-5-oxo-1-propan-2-yl-2-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 51970559
(2R,3R)-1-methyl-5-oxo-2-phenyl-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 29131786

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 5-methyl-3-phenyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one (CID 74068885) is 5-methyl-3-phenyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 5-methyl-3-phenyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 5-methyl-3-phenyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one is CN1C(=O)C2NNC(c3ccccc3)C2C1c1ccccn1.
What is the InChIKey of 5-methyl-3-phenyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is NSPIWIOJFJKOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-21-16(12-9-5-6-10-18-12)13-14(11-7-3-2-4-8-11)19-20-15(13)17(21)22/h2-10,13-16,19-20H,1H3.
What are the key properties of 5-methyl-3-phenyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one?
5-methyl-3-phenyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 294.36 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 74068885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).