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CAS 1026456-01-8 Ethyl 5-hydroxypyrazolo[1,5-a]pyriMidine-3-carboxylate molecular structure lightbox
CAS RN: 1026456-01-8

Ethyl 5-hydroxypyrazolo[1,5-a]pyriMidine-3-carboxylate

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5 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250913 100mg Out of stock Inquiry
Batchno.20250112 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20260228 1g Out of stock Inquiry
Batchno.20260609 250mg Out of stock Inquiry
Batchno.20251205 5g Out of stock Inquiry
  • Product code: starshine_CAS1026456-01-8
  • Purity/Analytical Methods: >99.0%
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1026456-01-8 / ethyl 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate | ETHYL 5-HYDROXYPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLATE | MFCD12407818

Standard CAS: 1026456-01-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1026456-01-8
Multi CAS
No
Molecular Formula
C9H9N3O3
Molecular Weight
207.190000
Exact Mass
207.064391
SMILES
CCOC(=O)C1=C2NC(=O)C=CN2N=C1
InChI
InChI=1S/C9H9N3O3/c1-2-15-9(14)6-5-10-12-4-3-7(13)11-8(6)12/h3-5H,2H2,1H3,(H,11,13)
InChIKey
PCKVUOAPCLMZJI-UHFFFAOYSA-N
Synonyms
ethyl 5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate ETHYL 5-HYDROXYPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLATE MFCD12407818 ethyl 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate ethyl 5-oxo-4H,5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
51.77
TPSA
76.46

LogP / Solubility

WLOGP
0.2
MLOGP
0.18
XLogP3
-0.1
Consensus LogP
0.09
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
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)
-3.84

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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