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CAS 2148334-10-3 5-Benzyl-4,5,6,7-Tetrahydropyrazolo[1,5-A]Pyrazine-7-Carbonitrile* molecular structure lightbox
CAS RN: 2148334-10-3

5-Benzyl-4,5,6,7-Tetrahydropyrazolo[1,5-A]Pyrazine-7-Carbonitrile*

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260502 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2148334-10-3
  • Purity/Analytical Methods: >99.0%
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2148334-10-3 / 5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carbonitrile

Standard CAS: 2148334-10-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2148334-10-3
Multi CAS
No
Molecular Formula
C14H14N4
Molecular Weight
238.290000
Exact Mass
238.121846
SMILES
C1C(N2C(=CC=N2)CN1CC3=CC=CC=C3)C#N
InChI
InChI=1S/C14H14N4/c15-8-14-11-17(9-12-4-2-1-3-5-12)10-13-6-7-16-18(13)14/h1-7,14H,9-11H2
InChIKey
QNHMVYBMAAMABE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
67.43
TPSA
44.85

LogP / Solubility

WLOGP
1.96
MLOGP
1.73
XLogP3
1.3
Consensus LogP
1.66
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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