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CAS 1012880-01-1 4-BroMo-1-cyclopentylpyrazole molecular structure lightbox
CAS RN: 1012880-01-1

4-BroMo-1-cyclopentylpyrazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260327 250mg / 1g / 5g Out of stock 3-5 business days Inquiry
  • Product code: SSC-002128
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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: ≥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 1012880-01-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1012880-01-1 / 4-bromo-1-cyclopentylpyrazole

4-Bromo-1-cyclopentylpyrazole | 4-bromo-1-cyclopentyl-1H-pyrazole | MFCD12824331

Standard CAS: 1012880-01-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1012880-01-1
Multi CAS
No
Molecular Formula
C8H11BrN2
Molecular Weight
215.090000
Exact Mass
214.010560
SMILES
C1CCC(C1)N2C=C(C=N2)Br
InChI
InChI=1S/C8H11BrN2/c9-7-5-10-11(6-7)8-3-1-2-4-8/h5-6,8H,1-4H2
InChIKey
DDMLTVXCHRGCFK-UHFFFAOYSA-N
Synonyms
4-Bromo-1-cyclopentylpyrazole 4-bromo-1-cyclopentyl-1H-pyrazole MFCD12824331 1H-Pyrazole, 4-bromo-1-cyclopentyl- SCHEMBL574364

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
47.43
TPSA
17.82

LogP / Solubility

WLOGP
2.76
MLOGP
2.43
XLogP3
2.1
Consensus LogP
2.43
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
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)
-2.07

Drug-likeness / Medicinal Chemistry

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

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