![CAS 1215295-82-1 1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethanol(SALTDATA: FREE) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1215295-82-1.gif)
CAS RN: 1215295-82-1
1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethanol(SALTDATA: FREE)
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250904 | 1g / 5g / 10g | Confirm by inquiry | Shanghai | 3-5 business days | Inquiry |
- Product code: starshine_CAS1215295-82-1
- Purity/Analytical Methods: >99.0%
1215295-82-1 / 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethanol
Basic Information
CAS
1215295-82-1
Multi CAS
No
Molecular Formula
C7H10N2O
Molecular Weight
138.170000
Exact Mass
138.079313
SMILES
C1CC2=C(C1)NN=C2CO
InChI
InChI=1S/C7H10N2O/c10-4-7-5-2-1-3-6(5)8-9-7/h10H,1-4H2,(H,8,9)
InChIKey
TZTISSAVSHFFOI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
36.54
TPSA
48.91
LogP / Solubility
WLOGP
0.39
MLOGP
0.34
XLogP3
0.1
Consensus LogP
0.28
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1
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)
-3.29
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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