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CAS 107862-65-7 5,6-Dihydro-4H-pyrrolo[1,2-b]pyrazole molecular structure lightbox
CAS RN: 107862-65-7

5,6-Dihydro-4H-pyrrolo[1,2-b]pyrazole

  • Product code: SSC-009207
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 107862-65-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

107862-65-7 / 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole

5,6-Dihydro-4H-pyrrolo[1,2-b]pyrazole | DTXSID00454120 | 5,6-dihydro-4h-pyrrolo(1,2-b)pyrazole

Standard CAS: 107862-65-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
107862-65-7
Multi CAS
No
Molecular Formula
C6H8N2
Molecular Weight
108.140000
Exact Mass
108.068748
SMILES
C1CC2=CC=NN2C1
InChI
InChI=1S/C6H8N2/c1-2-6-3-4-7-8(6)5-1/h3-4H,1-2,5H2
InChIKey
LQKUERRPRLVSLZ-UHFFFAOYSA-N
Synonyms
5,6-Dihydro-4H-pyrrolo[1,2-b]pyrazole DTXSID00454120 5,6-dihydro-4h-pyrrolo(1,2-b)pyrazole RefChem:1072189 DTXCID10404939

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
2
Molar refractivity
30.55
TPSA
17.82

LogP / Solubility

WLOGP
0.83
MLOGP
0.72
XLogP3
0.6
Consensus LogP
0.72
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.05
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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