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CAS 184097-88-9 3-(1H-PYRAZOL-1-YL)ANILINE molecular structure lightbox
CAS RN: 184097-88-9

3-(1H-PYRAZOL-1-YL)ANILINE

  • Product code: SSC-085143
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 10
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 184097-88-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Shanghai Inquiry
0.1g >97% 5 In Stock Shanghai Inquiry
0.25g -- 5 In Stock Shenzhen Inquiry
0.25g >97% 5 In Stock Beijing Inquiry
1g -- 5 In Stock Hong Kong Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g -- 5 In Stock Hong Kong Inquiry
10g -- 5 In Stock Hong Kong Inquiry
10g >97% 5 In Stock Hong Kong Inquiry
5g >97% 4 In Stock Shenzhen Inquiry

184097-88-9 / 3-pyrazol-1-ylaniline

Standard CAS: 184097-88-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
184097-88-9
Multi CAS
No
Molecular Formula
C9H9N3
Molecular Weight
159.190000
Exact Mass
159.079647
SMILES
C1=CC(=CC(=C1)N2C=CC=N2)N
InChI
InChI=1S/C9H9N3/c10-8-3-1-4-9(7-8)12-6-2-5-11-12/h1-7H,10H2
InChIKey
GDTZRPGWZFOSSY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.98
TPSA
43.84

LogP / Solubility

WLOGP
1.45
MLOGP
1.28
XLogP3
1.5
Consensus LogP
1.41
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
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)
-2.66

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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