CAS RN: 1368382-98-2
1H-Pyrazole-3-propanoic acid
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.20250823 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1368382-98-2
- Purity/Analytical Methods: >99.0%
1368382-98-2 / 3-(1H-pyrazol-5-yl)propanoic acid
Basic Information
CAS
1368382-98-2
Multi CAS
No
Molecular Formula
C6H8N2O2
Molecular Weight
140.140000
Exact Mass
140.058578
SMILES
C1=C(NN=C1)CCC(=O)O
InChI
InChI=1S/C6H8N2O2/c9-6(10)2-1-5-3-4-7-8-5/h3-4H,1-2H2,(H,7,8)(H,9,10)
InChIKey
SPSDYSZCWKVDLE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
34.54
TPSA
65.98
LogP / Solubility
WLOGP
0.43
MLOGP
0.37
Consensus LogP
0.27
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
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)
-3.27
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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