CAS RN: 832741-06-7

Ethyl 6-Methylpyrazolo[1,5-A]Pyrimidine-3-Carboxylate

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  • Product code: starshine_CAS832741-06-7
  • Purity/Analytical Methods: >99.0%
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832741-06-7 / ethyl 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate

Standard CAS: 832741-06-7 Multi CAS: No

Basic Information

CAS
832741-06-7
Multi CAS
No
Molecular Formula
C10H11N3O2
Molecular Weight
205.210000
Exact Mass
205.085127
InChI
InChI=1S/C10H11N3O2/c1-3-15-10(14)8-5-12-13-6-7(2)4-11-9(8)13/h4-6H,3H2,1-2H3
InChIKey
YCOBGQDUPCSSED-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
53.68
TPSA
56.49

LogP / Solubility

WLOGP
1.21
MLOGP
1.07
XLogP3
0.9
Consensus LogP
1.06
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately 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)
-3.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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