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CAS 1126-00-7 1-Phenylpyrazole molecular structure lightbox
CAS RN: 1126-00-7

1-Phenylpyrazole

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250424 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Hebei 5-7 business days Inquiry
  • Product code: SSC-012946
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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: 10g, 1g, 5g, 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 5
  • 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 1126-00-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 4 In Stock Shanghai Inquiry
1g ≥98% 3 In Stock Beijing Inquiry
5g ≥98% 3 In Stock Shanghai Inquiry
25g ≥98% 3 In Stock Shanghai Inquiry
100g ≥98% 2 In Stock Shanghai Inquiry

1126-00-7 / 1-phenylpyrazole

1-Phenylpyrazole | 1-Phenyl-1H-pyrazole | 1H-Pyrazole, 1-phenyl-

Standard CAS: 1126-00-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1126-00-7
Multi CAS
Yes
Molecular Formula
C9H8N2
Molecular Weight
144.170000
Exact Mass
144.068748
SMILES
C1=CC=C(C=C1)N2C=CC=N2
InChI
InChI=1S/C9H8N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h1-8H
InChIKey
WITMXBRCQWOZPX-UHFFFAOYSA-N
Synonyms
1-Phenylpyrazole 1-Phenyl-1H-pyrazole 1H-Pyrazole, 1-phenyl- N-Phenylpyrazole Pyrazole, 1-phenyl-

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
43.56
TPSA
17.82

LogP / Solubility

WLOGP
1.87
MLOGP
1.64
XLogP3
2.2
Consensus LogP
1.9
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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