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CAS 17536-00-4 3,5-Diisopropylpyrazole molecular structure lightbox
CAS RN: 17536-00-4

3,5-Diisopropylpyrazole

Product Availability

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260608 1g Out of stock Inquiry
Batchno.20250126 25g In stock Inquiry
Batchno.20260512 5g Out of stock Inquiry
  • Product code: SSC-076964
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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: ＞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 17536-00-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

17536-00-4 / 3,5-di(propan-2-yl)-1H-pyrazole

Standard CAS: 17536-00-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17536-00-4
Multi CAS
No
Molecular Formula
C9H16N2
Molecular Weight
152.240000
Exact Mass
152.131349
SMILES
CC(C)C1=CC(=NN1)C(C)C
InChI
InChI=1S/C9H16N2/c1-6(2)8-5-9(7(3)4)11-10-8/h5-7H,1-4H3,(H,10,11)
InChIKey
PJSJVTZSFIRYIZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.77
TPSA
28.68

LogP / Solubility

WLOGP
2.66
MLOGP
2.33
XLogP3
2.5
Consensus LogP
2.5
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly 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)
-1.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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