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CAS 1037816-85-5 5-(4-phenylphenyl)-1H-pyrazole-3-carboxylic acid molecular structure lightbox
CAS RN: 1037816-85-5

5-(4-phenylphenyl)-1H-pyrazole-3-carboxylic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250727 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-005397
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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 1037816-85-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

1037816-85-5 / 3-(4-phenylphenyl)-1H-pyrazole-5-carboxylic acid

5-Biphenyl-4-yl-1H-pyrazole-3-carboxylic acid | 3-(4-phenylphenyl)-1H-pyrazole-5-carboxylic acid | MFCD05170072

Standard CAS: 1037816-85-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1037816-85-5
Multi CAS
Yes
Molecular Formula
C16H12N2O2
Molecular Weight
264.280000
Exact Mass
264.089878
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NNC(=C3)C(=O)O
InChI
InChI=1S/C16H12N2O2/c19-16(20)15-10-14(17-18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H,19,20)
InChIKey
ASSWJYJXKAHOPX-UHFFFAOYSA-N
Synonyms
5-Biphenyl-4-yl-1H-pyrazole-3-carboxylic acid 3-(4-phenylphenyl)-1H-pyrazole-5-carboxylic acid MFCD05170072 5-([1,1'-BIPHENYL]-4-YL)-1H-PYRAZOLE-3-CARBOXYLIC ACID 5-{[1,1'-biphenyl]-4-yl}-1H-pyrazole-3-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
17
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
76.42
TPSA
65.98

LogP / Solubility

WLOGP
3.44
MLOGP
3.04
XLogP3
3.4
Consensus LogP
3.29
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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