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CAS 91468-85-8 3-ETHYL-4-METHYL-1H-PYRAZOL-5-AMINE molecular structure lightbox
CAS RN: 91468-85-8

3-ETHYL-4-METHYL-1H-PYRAZOL-5-AMINE

  • Product code: SSC-204659
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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: 5g
  • Available purity: ≥95%
  • 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 91468-85-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

91468-85-8 / 5-ethyl-4-methyl-1H-pyrazol-3-amine

Standard CAS: 91468-85-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91468-85-8
Multi CAS
Yes
Molecular Formula
C6H11N3
Molecular Weight
125.170000
Exact Mass
125.095297
InChI
InChI=1S/C6H11N3/c1-3-5-4(2)6(7)9-8-5/h3H2,1-2H3,(H3,7,8,9)
InChIKey
KPWCURLGTSCHNE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.12
TPSA
54.7

LogP / Solubility

WLOGP
0.86
MLOGP
0.75
XLogP3
1.1
Consensus LogP
0.9
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
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)
-2.87

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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