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CAS 1001020-13-8 3-(trifluoroMethyl)-1H-Pyrazole-4-Methanol molecular structure lightbox
CAS RN: 1001020-13-8

3-(trifluoroMethyl)-1H-Pyrazole-4-Methanol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250913 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-000433
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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: 0.25g, 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 1001020-13-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry

1001020-13-8 / [5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol

1001020-13-8 | (3-Trifluoromethyl-1H-pyrazol-4-yl)methanol | (5-(Trifluoromethyl)-1H-pyrazol-4-yl)methanol

Standard CAS: 1001020-13-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1001020-13-8
Multi CAS
Yes
Molecular Formula
C5H5F3N2O
Molecular Weight
166.100000
Exact Mass
166.035397
SMILES
C1=NNC(=C1CO)C(F)(F)F
InChI
InChI=1S/C5H5F3N2O/c6-5(7,8)4-3(2-11)1-9-10-4/h1,11H,2H2,(H,9,10)
InChIKey
PPTPNGBNXZGCBT-UHFFFAOYSA-N
Synonyms
1001020-13-8 (3-Trifluoromethyl-1H-pyrazol-4-yl)methanol (5-(Trifluoromethyl)-1H-pyrazol-4-yl)methanol 4-(Hydroxymethyl)-3-(Trifluoromethyl)pyrazole (3-(TRIFLUOROMETHYL)-1H-PYRAZOL-4-YL)METHANOL

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
29.51
TPSA
48.91

LogP / Solubility

WLOGP
0.92
MLOGP
0.81
XLogP3
0.2
Consensus LogP
0.64
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
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)
-3.08

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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