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CAS 98711-43-4 1H-Pyrazole-5-carboxamide,1-methyl-(9CI) molecular structure lightbox
CAS RN: 98711-43-4

1H-Pyrazole-5-carboxamide,1-methyl-(9CI)

  • Product code: SSC-212810
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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 98711-43-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

98711-43-4 / 2-methylpyrazole-3-carboxamide

Standard CAS: 98711-43-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
98711-43-4
Multi CAS
No
Molecular Formula
C5H7N3O
Molecular Weight
125.130000
Exact Mass
125.058912
InChI
InChI=1S/C5H7N3O/c1-8-4(5(6)9)2-3-7-8/h2-3H,1H3,(H2,6,9)
InChIKey
MFMKTVNIVSWSTK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
31.73
TPSA
60.91

LogP / Solubility

WLOGP
-0.48
MLOGP
-0.43
XLogP3
-0.6
Consensus LogP
-0.5
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.24
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.19
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.82

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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