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

C18H14FN3O — CID 7306255

IUPAC(4S)-4-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1ccc(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)NC3=O)cc1
InChIInChI=1S/C18H14FN3O/c1-10-2-4-12(5-3-10)16-14-15(11-6-8-13(19)9-7-11)20-18(23)17(14)22-21-16/h2-9,15H,1H3,(H,20,23)(H,21,22)/t15-/m0/s1
InChIKeySHEXLAAJIPLYLD-HNNXBMFYSA-N
MW307.33 g/mol
LogP3.36
Rot. Bonds2

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

(4S)-4-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one (PubChem CID 7306255) has the molecular formula C18H14FN3O and a molecular weight of 307.33 g/mol. Its IUPAC name is (4S)-4-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name(4S)-4-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
PubChem CID7306255
Molecular FormulaC18H14FN3O
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC Name(4S)-4-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1ccc(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)NC3=O)cc1
InChIInChI=1S/C18H14FN3O/c1-10-2-4-12(5-3-10)16-14-15(11-6-8-13(19)9-7-11)20-18(23)17(14)22-21-16/h2-9,15H,1H3,(H,20,23)(H,21,22)/t15-/m0/s1
InChIKeySHEXLAAJIPLYLD-HNNXBMFYSA-N
XLogP3.36
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of (4S)-4-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one (CID 7306255) is (4S)-4-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for (4S)-4-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for (4S)-4-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one is Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)NC3=O)cc1.
What is the InChIKey of (4S)-4-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is SHEXLAAJIPLYLD-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H14FN3O/c1-10-2-4-12(5-3-10)16-14-15(11-6-8-13(19)9-7-11)20-18(23)17(14)22-21-16/h2-9,15H,1H3,(H,20,23)(H,21,22)/t15-/m0/s1.
What are the key properties of (4S)-4-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one?
(4S)-4-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 307.33 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 7306255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).