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CAS 909858-38-4 5-(1-METHYL-1H-PYRROL-2-YL)-2H-PYRAZOLE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 909858-38-4

5-(1-METHYL-1H-PYRROL-2-YL)-2H-PYRAZOLE-3-CARBOXYLIC ACID

  • Product code: SSC-203736
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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
  • 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 909858-38-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

909858-38-4 / 3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylic acid

Standard CAS: 909858-38-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
909858-38-4
Multi CAS
No
Molecular Formula
C9H9N3O2
Molecular Weight
191.190000
Exact Mass
191.069477
InChI
InChI=1S/C9H9N3O2/c1-12-4-2-3-8(12)6-5-7(9(13)14)11-10-6/h2-5H,1H3,(H,10,11)(H,13,14)
InChIKey
ABCWEWNWAYDITM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
49.95
TPSA
70.91

LogP / Solubility

WLOGP
1.11
MLOGP
0.98
XLogP3
0.5
Consensus LogP
0.86
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
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)
-3.1

Drug-likeness / Medicinal Chemistry

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

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