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CAS 1951440-89-3 4-FLUORO-1H-PYRAZOLE HCL(WX639012S1) molecular structure lightbox
CAS RN: 1951440-89-3

4-FLUORO-1H-PYRAZOLE HCL(WX639012S1)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260115 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1951440-89-3
  • Purity/Analytical Methods: >99.0%
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1951440-89-3 / 4-fluoro-1H-pyrazole;hydrochloride

Standard CAS: 1951440-89-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1951440-89-3
Multi CAS
No
Molecular Formula
C3H4ClFN2
Molecular Weight
122.530000
Exact Mass
122.004704
SMILES
C1=C(C=NN1)F.Cl
InChI
InChI=1S/C3H3FN2.ClH/c4-3-1-5-6-2-3;/h1-2H,(H,5,6);1H
InChIKey
RFKLROZLTZSJPV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
25.79
TPSA
28.68

LogP / Solubility

WLOGP
0.97
MLOGP
0.84
XLogP3
0.97
Consensus LogP
0.93
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
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)
-2.78

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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