1-quinolin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile

C15H11N5 — CID 130431065

IUPAC1-quinolin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile
SMILESN#CN1Cc2cnn(-c3cnc4ccccc4c3)c2C1
InChIInChI=1S/C15H11N5/c16-10-19-8-12-6-18-20(15(12)9-19)13-5-11-3-1-2-4-14(11)17-7-13/h1-7H,8-9H2
InChIKeyPIZVMZGJPRKAKX-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.22
Rot. Bonds1

About 1-quinolin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile

1-quinolin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile (PubChem CID 130431065) has the molecular formula C15H11N5 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-quinolin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name1-quinolin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile
PubChem CID130431065
Molecular FormulaC15H11N5
Molecular Weight261.29 g/mol
Exact Mass261.10
IUPAC Name1-quinolin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile
SMILESN#CN1Cc2cnn(-c3cnc4ccccc4c3)c2C1
InChIInChI=1S/C15H11N5/c16-10-19-8-12-6-18-20(15(12)9-19)13-5-11-3-1-2-4-14(11)17-7-13/h1-7H,8-9H2
InChIKeyPIZVMZGJPRKAKX-UHFFFAOYSA-N
XLogP2.22
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-quinolin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile?
The IUPAC name of 1-quinolin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile (CID 130431065) is 1-quinolin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile.
What is the SMILES notation for 1-quinolin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile?
The canonical SMILES for 1-quinolin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile is N#CN1Cc2cnn(-c3cnc4ccccc4c3)c2C1.
What is the InChIKey of 1-quinolin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile?
The InChIKey is PIZVMZGJPRKAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5/c16-10-19-8-12-6-18-20(15(12)9-19)13-5-11-3-1-2-4-14(11)17-7-13/h1-7H,8-9H2.
What are the key properties of 1-quinolin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile?
1-quinolin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile has a molecular weight of 261.29 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile is sourced from PubChem (CID 130431065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).