CAS RN: 1245806-69-2
3-(Difluoromethyl)-1-methyl-1H-pyrazol-5-amine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251024 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1245806-69-2
- Purity/Analytical Methods: >99.0%
1245806-69-2 / 3-(difluoromethyl)-1-methylpyrazol-5-amine
Basic Information
CAS
1245806-69-2
Multi CAS
No
Molecular Formula
C5H7F2N3
Molecular Weight
147.130000
Exact Mass
147.060804
SMILES
CN1C(=CC(=N1)C(F)F)N
InChI
InChI=1S/C5H7F2N3/c1-10-4(8)2-3(9-10)5(6)7/h2,5H,8H2,1H3
InChIKey
CHPBALMNOJRUKP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.58
TPSA
43.84
LogP / Solubility
WLOGP
0.94
MLOGP
0.82
XLogP3
0.5
Consensus LogP
0.75
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
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)
-2.95
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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