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CAS 102846-13-9 3-BROMOMETHYL-1-METHYL-1H-PYRAZOLE molecular structure lightbox
CAS RN: 102846-13-9

3-BROMOMETHYL-1-METHYL-1H-PYRAZOLE

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250903 100mg In stock Shanghai Inquiry
Batchno.20250305 100mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20260601 1g Out of stock Inquiry
Batchno.20251027 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20251019 5g In stock Shanghai Inquiry
  • Product code: SSC-004194
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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: 0.25g
  • 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 102846-13-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

102846-13-9 / 3-(bromomethyl)-1-methylpyrazole

3-(Bromomethyl)-1-methyl-1H-pyrazole | 3-BROMOMETHYL-1-METHYL-1H-PYRAZOLE | 3-(BROMOMETHYL)-1-METHYLPYRAZOLE

Standard CAS: 102846-13-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
102846-13-9
Multi CAS
No
Molecular Formula
C5H7BrN2
Molecular Weight
175.030000
Exact Mass
173.979260
SMILES
CN1C=CC(=N1)CBr
InChI
InChI=1S/C5H7BrN2/c1-8-3-2-5(4-6)7-8/h2-3H,4H2,1H3
InChIKey
MYHUFJLABUEBLV-UHFFFAOYSA-N
Synonyms
3-(Bromomethyl)-1-methyl-1H-pyrazole 3-BROMOMETHYL-1-METHYL-1H-PYRAZOLE 3-(BROMOMETHYL)-1-METHYLPYRAZOLE MFCD06738775 1H-Pyrazole, 3-(bromomethyl)-1-methyl-

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
35.84
TPSA
17.82

LogP / Solubility

WLOGP
1.31
MLOGP
1.15
XLogP3
0.8
Consensus LogP
1.09
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
Class (SILICOS-IT)
Moderately 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)
-2.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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