3-(4-methylphenyl)-4-pyridin-3-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one

C17H14N4O — CID 5303728

IUPAC3-(4-methylphenyl)-4-pyridin-3-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1ccc(-c2n[nH]c3c2C(c2cccnc2)NC3=O)cc1
InChIInChI=1S/C17H14N4O/c1-10-4-6-11(7-5-10)15-13-14(12-3-2-8-18-9-12)19-17(22)16(13)21-20-15/h2-9,14H,1H3,(H,19,22)(H,20,21)
InChIKeyFYEBJCMIEWPOEX-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.61
Rot. Bonds2

About 3-(4-methylphenyl)-4-pyridin-3-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one

3-(4-methylphenyl)-4-pyridin-3-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one (PubChem CID 5303728) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-(4-methylphenyl)-4-pyridin-3-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-4-pyridin-3-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
PubChem CID5303728
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name3-(4-methylphenyl)-4-pyridin-3-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1ccc(-c2n[nH]c3c2C(c2cccnc2)NC3=O)cc1
InChIInChI=1S/C17H14N4O/c1-10-4-6-11(7-5-10)15-13-14(12-3-2-8-18-9-12)19-17(22)16(13)21-20-15/h2-9,14H,1H3,(H,19,22)(H,20,21)
InChIKeyFYEBJCMIEWPOEX-UHFFFAOYSA-N
XLogP2.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylphenyl)-4-pyridin-3-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 7306255
3-(4-methylphenyl)-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 46253326
(4S)-3-(furan-2-yl)-4-pyridin-3-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
CID 51611436
3-(4-methylphenyl)-4-phenyl-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856179
3-(3-methoxyphenyl)-4-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 19616411
4-(3-bromophenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 4874495
(4S)-4-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 92700888
(4S)-4-(3-fluorophenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 1489876
4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 20854716
4-(3-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 4068850
4-(4-bromophenyl)-3-(4-methylphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856756
(2S)-3-acetyl-4-hydroxy-2-pyridin-3-yl-1,2-dihydropyrrol-5-one
CID 7235878

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-4-pyridin-3-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 3-(4-methylphenyl)-4-pyridin-3-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one (CID 5303728) is 3-(4-methylphenyl)-4-pyridin-3-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 3-(4-methylphenyl)-4-pyridin-3-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 3-(4-methylphenyl)-4-pyridin-3-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one is Cc1ccc(-c2n[nH]c3c2C(c2cccnc2)NC3=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)-4-pyridin-3-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is FYEBJCMIEWPOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-10-4-6-11(7-5-10)15-13-14(12-3-2-8-18-9-12)19-17(22)16(13)21-20-15/h2-9,14H,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-(4-methylphenyl)-4-pyridin-3-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one?
3-(4-methylphenyl)-4-pyridin-3-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 290.33 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-4-pyridin-3-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 5303728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).