CAS RN: 102732-63-8
2-(1H-pyrazol-5-yl)acetic 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.20260303 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-004059
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
102732-63-8 / 2-(1H-pyrazol-5-yl)acetic acid
(1H-Pyrazol-5-yl)acetic acid | DTXSID90542641 | RefChem:204873
Basic Information
CAS
102732-63-8
Multi CAS
Yes
Molecular Formula
C5H6N2O2
Molecular Weight
126.110000
Exact Mass
126.042927
SMILES
C1=C(NN=C1)CC(=O)O
InChI
InChI=1S/C5H6N2O2/c8-5(9)3-4-1-2-6-7-4/h1-2H,3H2,(H,6,7)(H,8,9)
InChIKey
NTVKSUPEUFXUGS-UHFFFAOYSA-N
Synonyms
(1H-Pyrazol-5-yl)acetic acid
DTXSID90542641
RefChem:204873
DTXCID90493427
2-(1H-Pyrazol-3-yl)acetic acid
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
29.93
TPSA
65.98
LogP / Solubility
WLOGP
0.04
MLOGP
0.02
XLogP3
-0.3
Consensus LogP
-0.08
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-0.62
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.75
Class (SILICOS-IT)
Very 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)
-3.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
