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CAS 1453176-67-4 Methyl pyrazolo[1,5-a]pyriMidine-5-carboxylate molecular structure lightbox
CAS RN: 1453176-67-4

Methyl pyrazolo[1,5-a]pyriMidine-5-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250625 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1453176-67-4
  • Purity/Analytical Methods: >99.0%
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1453176-67-4 / methyl pyrazolo[1,5-a]pyrimidine-5-carboxylate

Standard CAS: 1453176-67-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1453176-67-4
Multi CAS
No
Molecular Formula
C8H7N3O2
Molecular Weight
177.160000
Exact Mass
177.053826
SMILES
COC(=O)C1=NC2=CC=NN2C=C1
InChI
InChI=1S/C8H7N3O2/c1-13-8(12)6-3-5-11-7(10-6)2-4-9-11/h2-5H,1H3
InChIKey
FCZKDRQJWFMUNZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
44.33
TPSA
56.49

LogP / Solubility

WLOGP
0.52
MLOGP
0.45
XLogP3
0.5
Consensus LogP
0.49
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
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)
-3.43

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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