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CAS 131654-76-7 Methyl 3-(5-Amino-1-pyrazolyl)propanoate molecular structure lightbox
CAS RN: 131654-76-7

Methyl 3-(5-Amino-1-pyrazolyl)propanoate

  • Product code: SSC-038797
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 131654-76-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g >95% 1 In Stock Hong Kong Inquiry
10g >95% 1 In Stock Beijing Inquiry

131654-76-7 / methyl 3-(5-aminopyrazol-1-yl)propanoate

Standard CAS: 131654-76-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
131654-76-7
Multi CAS
No
Molecular Formula
C7H11N3O2
Molecular Weight
169.180000
Exact Mass
169.085127
SMILES
COC(=O)CCN1C(=CC=N1)N
InChI
InChI=1S/C7H11N3O2/c1-12-7(11)3-5-10-6(8)2-4-9-10/h2,4H,3,5,8H2,1H3
InChIKey
FQVJCBNQXHBOLQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
43.27
TPSA
70.14

LogP / Solubility

WLOGP
0.03
MLOGP
0.02
XLogP3
-0.4
Consensus LogP
-0.12
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.14
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)
-3.73

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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