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CAS 1240279-47-3 3-(Thiophen-2-yl)-1H-pyrazole-5-carboxaMide molecular structure lightbox
CAS RN: 1240279-47-3

3-(Thiophen-2-yl)-1H-pyrazole-5-carboxaMide

  • Product code: SSC-027710
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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 1240279-47-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

1240279-47-3 / 5-thiophen-2-yl-1H-pyrazole-3-carboxamide

Standard CAS: 1240279-47-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1240279-47-3
Multi CAS
No
Molecular Formula
C8H7N3OS
Molecular Weight
193.230000
Exact Mass
193.030983
SMILES
C1=CSC(=C1)C2=CC(=NN2)C(=O)N
InChI
InChI=1S/C8H7N3OS/c9-8(12)6-4-5(10-11-6)7-2-1-3-13-7/h1-4H,(H2,9,12)(H,10,11)
InChIKey
ICHSQXBOKLWZJI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.42
TPSA
71.77

LogP / Solubility

WLOGP
1.24
MLOGP
1.09
XLogP3
0.8
Consensus LogP
1.04
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
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)
-3.02

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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