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CAS 1637223-69-8 Ethyl 4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazine-1-carboxylate molecular structure lightbox
CAS RN: 1637223-69-8

Ethyl 4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazine-1-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250624 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1637223-69-8
  • Purity/Analytical Methods: >99.0%
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1637223-69-8 / ethyl 4-(5-methyl-2-phenylpyrazol-3-yl)piperazine-1-carboxylate

Standard CAS: 1637223-69-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1637223-69-8
Multi CAS
No
Molecular Formula
C17H22N4O2
Molecular Weight
314.400000
Exact Mass
314.174276
SMILES
CCOC(=O)N1CCN(CC1)C2=CC(=NN2C3=CC=CC=C3)C
InChI
InChI=1S/C17H22N4O2/c1-3-23-17(22)20-11-9-19(10-12-20)16-13-14(2)18-21(16)15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3
InChIKey
KSXHSPWYEXRMGJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
11
Fraction Csp3
0.41
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
89.11
TPSA
50.6

LogP / Solubility

WLOGP
2.46
MLOGP
2.18
XLogP3
2.8
Consensus LogP
2.48
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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