1-[(4-fluorophenyl)methyl]-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole

C16H14FN5 — CID 56714501

IUPAC1-[(4-fluorophenyl)methyl]-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESFc1ccc(Cn2ncc3c2CN(c2ncccn2)C3)cc1
InChIInChI=1S/C16H14FN5/c17-14-4-2-12(3-5-14)9-22-15-11-21(10-13(15)8-20-22)16-18-6-1-7-19-16/h1-8H,9-11H2
InChIKeyVJZYSPALSUGGQW-UHFFFAOYSA-N
MW295.32 g/mol
LogP2.38
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole

1-[(4-fluorophenyl)methyl]-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole (PubChem CID 56714501) has the molecular formula C16H14FN5 and a molecular weight of 295.32 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole
PubChem CID56714501
Molecular FormulaC16H14FN5
Molecular Weight295.32 g/mol
Exact Mass295.12
IUPAC Name1-[(4-fluorophenyl)methyl]-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESFc1ccc(Cn2ncc3c2CN(c2ncccn2)C3)cc1
InChIInChI=1S/C16H14FN5/c17-14-4-2-12(3-5-14)9-22-15-11-21(10-13(15)8-20-22)16-18-6-1-7-19-16/h1-8H,9-11H2
InChIKeyVJZYSPALSUGGQW-UHFFFAOYSA-N
XLogP2.38
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(4-fluorophenyl)methyl]-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole (CID 56714501) is 1-[(4-fluorophenyl)methyl]-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole is Fc1ccc(Cn2ncc3c2CN(c2ncccn2)C3)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole?
The InChIKey is VJZYSPALSUGGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5/c17-14-4-2-12(3-5-14)9-22-15-11-21(10-13(15)8-20-22)16-18-6-1-7-19-16/h1-8H,9-11H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole?
1-[(4-fluorophenyl)methyl]-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole has a molecular weight of 295.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 56714501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).