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CAS 85485-61-6 1H-Pyrazol-3-amine,1,4-dimethyl-(9CI) molecular structure lightbox
CAS RN: 85485-61-6

1H-Pyrazol-3-amine,1,4-dimethyl-(9CI)

  • Product code: SSC-193912
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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 85485-61-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

85485-61-6 / 1,4-dimethylpyrazol-3-amine

Standard CAS: 85485-61-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
85485-61-6
Multi CAS
No
Molecular Formula
C5H9N3
Molecular Weight
111.150000
Exact Mass
111.079647
InChI
InChI=1S/C5H9N3/c1-4-3-8(2)7-5(4)6/h3H,1-2H3,(H2,6,7)
InChIKey
GZJVUJXNJCCGEC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.36
TPSA
43.84

LogP / Solubility

WLOGP
0.31
MLOGP
0.26
XLogP3
0.2
Consensus LogP
0.26
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-0.7
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.64
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)
-3.18

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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