CAS RN: 1816270-47-9
3,3′-Dimethyl-1H,1H’-4,4′-bipyrazole
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260606 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LIND914152
1816270-47-9 / 5-methyl-4-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazole
Basic Information
CAS
1816270-47-9
Multi CAS
No
Molecular Formula
C8H10N4
Molecular Weight
162.190000
Exact Mass
162.090546
SMILES
CC1=C(C=NN1)C2=C(NN=C2)C
InChI
InChI=1S/C8H10N4/c1-5-7(3-9-11-5)8-4-10-12-6(8)2/h3-4H,1-2H3,(H,9,11)(H,10,12)
InChIKey
ZVNSWSVGKRBZEV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.64
TPSA
57.36
LogP / Solubility
WLOGP
1.42
MLOGP
1.24
XLogP3
0.9
Consensus LogP
1.19
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
Class (SILICOS-IT)
Moderately 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)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
