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CAS 1417569-73-3 (4-Amino-1H-pyrazol-1-yl)acetic acid hydrochloride molecular structure lightbox
CAS RN: 1417569-73-3

(4-Amino-1H-pyrazol-1-yl)acetic acid hydrochloride

  • Product code: SSC-052400
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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: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1417569-73-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

1417569-73-3 / 2-(4-aminopyrazol-1-yl)acetic acid;hydrochloride

Standard CAS: 1417569-73-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1417569-73-3
Multi CAS
No
Molecular Formula
C5H8ClN3O2
Molecular Weight
177.590000
Exact Mass
177.030504
SMILES
C1=C(C=NN1CC(=O)O)N.Cl
InChI
InChI=1S/C5H7N3O2.ClH/c6-4-1-7-8(2-4)3-5(9)10;/h1-2H,3,6H2,(H,9,10);1H
InChIKey
UOCIBLPNTNODIV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
41.52
TPSA
81.14

LogP / Solubility

WLOGP
-0.03
MLOGP
-0.03
XLogP3
-0.03
Consensus LogP
-0.03
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.03
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-3.82

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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