CAS RN: 1523618-14-5
(1H-Pyrazol-4-yl)methanamine oxalate
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.20250812 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1523618-14-5
- Purity/Analytical Methods: >99.0%
1523618-14-5 / oxalic acid;1H-pyrazol-4-ylmethanamine
Basic Information
CAS
1523618-14-5
Multi CAS
No
Molecular Formula
C6H9N3O4
Molecular Weight
187.150000
Exact Mass
187.059306
SMILES
C1=C(C=NN1)CN.C(=O)(C(=O)O)O
InChI
InChI=1S/C4H7N3.C2H2O4/c5-1-4-2-6-7-3-4;3-1(4)2(5)6/h2-3H,1,5H2,(H,6,7);(H,3,4)(H,5,6)
InChIKey
VAYBVCGIZRGHEN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
4
Molar refractivity
41.75
TPSA
129.3
LogP / Solubility
WLOGP
-0.98
MLOGP
-0.86
XLogP3
-0.98
Consensus LogP
-0.94
Log S (ESOL)
-0.6
Class (ESOL)
Very soluble
Log S (Ali)
-0.39
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.19
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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