1-(4-fluorophenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole

C15H12FN5 — CID 3258348

IUPAC1-(4-fluorophenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESFc1ccc(-n2nc(-c3cnccn3)c3c2NCC3)cc1
InChIInChI=1S/C15H12FN5/c16-10-1-3-11(4-2-10)21-15-12(5-6-19-15)14(20-21)13-9-17-7-8-18-13/h1-4,7-9,19H,5-6H2
InChIKeyRTXKXYDTFVWDPM-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.44
Rot. Bonds2

About 1-(4-fluorophenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole

1-(4-fluorophenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (PubChem CID 3258348) has the molecular formula C15H12FN5 and a molecular weight of 281.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
PubChem CID3258348
Molecular FormulaC15H12FN5
Molecular Weight281.29 g/mol
Exact Mass281.11
IUPAC Name1-(4-fluorophenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESFc1ccc(-n2nc(-c3cnccn3)c3c2NCC3)cc1
InChIInChI=1S/C15H12FN5/c16-10-1-3-11(4-2-10)21-15-12(5-6-19-15)14(20-21)13-9-17-7-8-18-13/h1-4,7-9,19H,5-6H2
InChIKeyRTXKXYDTFVWDPM-UHFFFAOYSA-N
XLogP2.44
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethylphenyl)-3-pyrazin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3916181
1-(2-ethylphenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3887536
1-(3-chloro-4-methylphenyl)-3-pyrazin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4575507
3-(2-fluorophenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3251433
1-(4-chlorophenyl)-3-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3303940
1-(3,5-dichlorophenyl)-3-pyrazin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4014803
1-(4-fluorophenyl)-3-(3-iodophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4642019
1-(4-bromophenyl)-3-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4645371
3-ethyl-1-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3318390
3-butyl-1-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 5018140
1-(4-methylphenyl)-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3952494
1-(4-chlorophenyl)-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4590575

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The IUPAC name of 1-(4-fluorophenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (CID 3258348) is 1-(4-fluorophenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.
What is the SMILES notation for 1-(4-fluorophenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The canonical SMILES for 1-(4-fluorophenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is Fc1ccc(-n2nc(-c3cnccn3)c3c2NCC3)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The InChIKey is RTXKXYDTFVWDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5/c16-10-1-3-11(4-2-10)21-15-12(5-6-19-15)14(20-21)13-9-17-7-8-18-13/h1-4,7-9,19H,5-6H2.
What are the key properties of 1-(4-fluorophenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
1-(4-fluorophenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole has a molecular weight of 281.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-pyrazin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is sourced from PubChem (CID 3258348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).