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CAS 330792-70-6 5-aMino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile molecular structure lightbox
CAS RN: 330792-70-6

5-aMino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile

  • Product code: SSC-138933
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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, 10g, 25g
  • 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 330792-70-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry
10g ＞97% 0 Out of Stock Shanghai Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

330792-70-6 / 3-amino-5-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile

Standard CAS: 330792-70-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
330792-70-6
Multi CAS
Yes
Molecular Formula
C16H12N4O
Molecular Weight
276.290000
Exact Mass
276.101111
InChI
InChI=1S/C16H12N4O/c17-10-14-15(19-20-16(14)18)11-6-8-13(9-7-11)21-12-4-2-1-3-5-12/h1-9H,(H3,18,19,20)
InChIKey
HNIMEQCLCNSCGH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
17
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
79.67
TPSA
87.72

LogP / Solubility

WLOGP
3.32
MLOGP
2.93
XLogP3
3.3
Consensus LogP
3.18
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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