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CAS 23286-70-6 5-AMINO-3-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 23286-70-6

5-AMINO-3-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER

  • Product code: SSC-112987
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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: ≥97%
  • 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 23286-70-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

23286-70-6 / ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate

Standard CAS: 23286-70-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23286-70-6
Multi CAS
No
Molecular Formula
C7H11N3O2
Molecular Weight
169.180000
Exact Mass
169.085127
SMILES
CCOC(=O)C1=C(NN=C1N)C
InChI
InChI=1S/C7H11N3O2/c1-3-12-7(11)5-4(2)9-10-6(5)8/h3H2,1-2H3,(H3,8,9,10)
InChIKey
WOCMIZZYXHVSPS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
43.69
TPSA
81

LogP / Solubility

WLOGP
0.48
MLOGP
0.42
XLogP3
1
Consensus LogP
0.63
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
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)
-3.41

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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