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CAS 687635-04-7 3-PYRAZOL-1-YL-BENZYLAMINE molecular structure lightbox
CAS RN: 687635-04-7

3-PYRAZOL-1-YL-BENZYLAMINE

  • Product code: SSC-178449
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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 687635-04-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

687635-04-7 / (3-pyrazol-1-ylphenyl)methanamine

Standard CAS: 687635-04-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
687635-04-7
Multi CAS
Yes
Molecular Formula
C10H11N3
Molecular Weight
173.210000
Exact Mass
173.095297
InChI
InChI=1S/C10H11N3/c11-8-9-3-1-4-10(7-9)13-6-2-5-12-13/h1-7H,8,11H2
InChIKey
YWZKZHCZKIKAAC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.46
TPSA
43.84

LogP / Solubility

WLOGP
1.33
MLOGP
1.17
XLogP3
1.1
Consensus LogP
1.2
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.13
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)
-2.83

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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