CAS RN: 1707371-84-3
3-amino-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carbonitrile
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260620 | 250mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1707371-84-3
- Purity/Analytical Methods: >99.0%
1707371-84-3 / 3-amino-1-(oxan-4-yl)pyrazole-4-carbonitrile
Basic Information
CAS
1707371-84-3
Multi CAS
No
Molecular Formula
C9H12N4O
Molecular Weight
192.220000
Exact Mass
192.101111
SMILES
C1COCCC1N2C=C(C(=N2)N)C#N
InChI
InChI=1S/C9H12N4O/c10-5-7-6-13(12-9(7)11)8-1-3-14-4-2-8/h6,8H,1-4H2,(H2,11,12)
InChIKey
UPDDXPORUHXSCL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
50.44
TPSA
76.86
LogP / Solubility
WLOGP
0.69
MLOGP
0.6
XLogP3
0.5
Consensus LogP
0.6
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-3.4
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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