4-cyclopentyl-2-methylpyrazolo[1,5-a]benzimidazol-6-amine

C15H18N4 — CID 82589160

IUPAC4-cyclopentyl-2-methylpyrazolo[1,5-a]benzimidazol-6-amine
SMILESCc1cc2n(C3CCCC3)c3cc(N)ccc3n2n1
InChIInChI=1S/C15H18N4/c1-10-8-15-18(12-4-2-3-5-12)14-9-11(16)6-7-13(14)19(15)17-10/h6-9,12H,2-5,16H2,1H3
InChIKeyJBIYRXDGPMOAKX-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.29
Rot. Bonds1

About 4-cyclopentyl-2-methylpyrazolo[1,5-a]benzimidazol-6-amine

4-cyclopentyl-2-methylpyrazolo[1,5-a]benzimidazol-6-amine (PubChem CID 82589160) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-cyclopentyl-2-methylpyrazolo[1,5-a]benzimidazol-6-amine.

Molecular Properties

Compound Name4-cyclopentyl-2-methylpyrazolo[1,5-a]benzimidazol-6-amine
PubChem CID82589160
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-cyclopentyl-2-methylpyrazolo[1,5-a]benzimidazol-6-amine
SMILESCc1cc2n(C3CCCC3)c3cc(N)ccc3n2n1
InChIInChI=1S/C15H18N4/c1-10-8-15-18(12-4-2-3-5-12)14-9-11(16)6-7-13(14)19(15)17-10/h6-9,12H,2-5,16H2,1H3
InChIKeyJBIYRXDGPMOAKX-UHFFFAOYSA-N
XLogP3.29
TPSA48.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-methylpyrazolo[1,5-a]benzimidazol-6-amine?
The IUPAC name of 4-cyclopentyl-2-methylpyrazolo[1,5-a]benzimidazol-6-amine (CID 82589160) is 4-cyclopentyl-2-methylpyrazolo[1,5-a]benzimidazol-6-amine.
What is the SMILES notation for 4-cyclopentyl-2-methylpyrazolo[1,5-a]benzimidazol-6-amine?
The canonical SMILES for 4-cyclopentyl-2-methylpyrazolo[1,5-a]benzimidazol-6-amine is Cc1cc2n(C3CCCC3)c3cc(N)ccc3n2n1.
What is the InChIKey of 4-cyclopentyl-2-methylpyrazolo[1,5-a]benzimidazol-6-amine?
The InChIKey is JBIYRXDGPMOAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-10-8-15-18(12-4-2-3-5-12)14-9-11(16)6-7-13(14)19(15)17-10/h6-9,12H,2-5,16H2,1H3.
What are the key properties of 4-cyclopentyl-2-methylpyrazolo[1,5-a]benzimidazol-6-amine?
4-cyclopentyl-2-methylpyrazolo[1,5-a]benzimidazol-6-amine has a molecular weight of 254.34 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-methylpyrazolo[1,5-a]benzimidazol-6-amine is sourced from PubChem (CID 82589160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).