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CAS 1276541-94-6 5-(TrifluoroMethyl)pyrazole-3-carboxaMide molecular structure lightbox
CAS RN: 1276541-94-6

5-(TrifluoroMethyl)pyrazole-3-carboxaMide

  • Product code: SSC-035150
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1276541-94-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 0 Out of Stock Shanghai Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry

1276541-94-6 / 5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

Standard CAS: 1276541-94-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1276541-94-6
Multi CAS
No
Molecular Formula
C5H4F3N3O
Molecular Weight
179.100000
Exact Mass
179.030646
SMILES
C1=C(NN=C1C(=O)N)C(F)(F)F
InChI
InChI=1S/C5H4F3N3O/c6-5(7,8)3-1-2(4(9)12)10-11-3/h1H,(H2,9,12)(H,10,11)
InChIKey
ZGCQBYSIGOKBNS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.11
TPSA
71.77

LogP / Solubility

WLOGP
0.53
MLOGP
0.46
XLogP3
0.3
Consensus LogP
0.43
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
Class (SILICOS-IT)
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)
-3.44

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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