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CAS 189083-63-4 5-(4-NITROPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 189083-63-4

5-(4-NITROPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260604 1g In stock Shanghai Inquiry
Batchno.20260217 250mg In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20260310 5g Out of stock Inquiry
  • Product code: SSC-088180
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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: ＞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 189083-63-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

189083-63-4 / 3-(4-nitrophenyl)-1H-pyrazole-5-carboxylic acid

Standard CAS: 189083-63-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
189083-63-4
Multi CAS
No
Molecular Formula
C10H7N3O4
Molecular Weight
233.180000
Exact Mass
233.043656
SMILES
C1=CC(=CC=C1C2=NNC(=C2)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C10H7N3O4/c14-10(15)9-5-8(11-12-9)6-1-3-7(4-2-6)13(16)17/h1-5H,(H,11,12)(H,14,15)
InChIKey
YTCUAJQXEKPQMF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
57.64
TPSA
109.12

LogP / Solubility

WLOGP
1.68
MLOGP
1.49
XLogP3
1.6
Consensus LogP
1.59
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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