1-[3-(4-fluorophenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]-3-hydroxy-2-phenylpropan-1-one

C20H18FN3O2 — CID 11360111

IUPAC1-[3-(4-fluorophenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]-3-hydroxy-2-phenylpropan-1-one
SMILESO=C(C(CO)c1ccccc1)N1Cc2[nH]nc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C20H18FN3O2/c21-15-8-6-14(7-9-15)19-16-10-24(11-18(16)22-23-19)20(26)17(12-25)13-4-2-1-3-5-13/h1-9,17,25H,10-12H2,(H,22,23)
InChIKeyGVRMCYJHBYPNCV-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.83
Rot. Bonds4

About 1-[3-(4-fluorophenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]-3-hydroxy-2-phenylpropan-1-one

1-[3-(4-fluorophenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]-3-hydroxy-2-phenylpropan-1-one (PubChem CID 11360111) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]-3-hydroxy-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]-3-hydroxy-2-phenylpropan-1-one
PubChem CID11360111
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name1-[3-(4-fluorophenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]-3-hydroxy-2-phenylpropan-1-one
SMILESO=C(C(CO)c1ccccc1)N1Cc2[nH]nc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C20H18FN3O2/c21-15-8-6-14(7-9-15)19-16-10-24(11-18(16)22-23-19)20(26)17(12-25)13-4-2-1-3-5-13/h1-9,17,25H,10-12H2,(H,22,23)
InChIKeyGVRMCYJHBYPNCV-UHFFFAOYSA-N
XLogP2.83
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]-3-hydroxy-2-phenylpropan-1-one?
The IUPAC name of 1-[3-(4-fluorophenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]-3-hydroxy-2-phenylpropan-1-one (CID 11360111) is 1-[3-(4-fluorophenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]-3-hydroxy-2-phenylpropan-1-one.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]-3-hydroxy-2-phenylpropan-1-one?
The canonical SMILES for 1-[3-(4-fluorophenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]-3-hydroxy-2-phenylpropan-1-one is O=C(C(CO)c1ccccc1)N1Cc2[nH]nc(-c3ccc(F)cc3)c2C1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]-3-hydroxy-2-phenylpropan-1-one?
The InChIKey is GVRMCYJHBYPNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-15-8-6-14(7-9-15)19-16-10-24(11-18(16)22-23-19)20(26)17(12-25)13-4-2-1-3-5-13/h1-9,17,25H,10-12H2,(H,22,23).
What are the key properties of 1-[3-(4-fluorophenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]-3-hydroxy-2-phenylpropan-1-one?
1-[3-(4-fluorophenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]-3-hydroxy-2-phenylpropan-1-one has a molecular weight of 351.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]-3-hydroxy-2-phenylpropan-1-one is sourced from PubChem (CID 11360111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).