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CAS 1006470-56-9 4-bromo-1-cyclopentyl-1H-pyrazol-3-amine molecular structure lightbox
CAS RN: 1006470-56-9

4-bromo-1-cyclopentyl-1H-pyrazol-3-amine

  • Product code: SSC-001303
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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 1006470-56-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Hong Kong Inquiry

1006470-56-9 / 4-bromo-1-cyclopentylpyrazol-3-amine

4-BROMO-1-CYCLOPENTYL-1H-PYRAZOL-3-AMINE | MFCD06805181 | 4-bromo-1-cyclopentylpyrazol-3-amine

Standard CAS: 1006470-56-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1006470-56-9
Multi CAS
No
Molecular Formula
C8H12BrN3
Molecular Weight
230.110000
Exact Mass
229.021460
SMILES
C1CCC(C1)N2C=C(C(=N2)N)Br
InChI
InChI=1S/C8H12BrN3/c9-7-5-12(11-8(7)10)6-3-1-2-4-6/h5-6H,1-4H2,(H2,10,11)
InChIKey
UBTYDZIXRUQARY-UHFFFAOYSA-N
Synonyms
4-BROMO-1-CYCLOPENTYL-1H-PYRAZOL-3-AMINE MFCD06805181 4-bromo-1-cyclopentylpyrazol-3-amine 4-bromo-1-cyclopentyl-pyrazol-3-amine 4-bromo-1-cyclopentylpyrazole-3-ylamine

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.84
TPSA
43.84

LogP / Solubility

WLOGP
2.34
MLOGP
2.07
XLogP3
1.7
Consensus LogP
2.04
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
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)
-2.46

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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