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CAS 1248142-10-0 1-[2-(4-Nitro-1H-pyrazol-1-yl)ethyl]piperazine molecular structure lightbox
CAS RN: 1248142-10-0

1-[2-(4-Nitro-1H-pyrazol-1-yl)ethyl]piperazine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251106 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1248142-10-0
  • Purity/Analytical Methods: >99.0%
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1248142-10-0 / 1-[2-(4-nitropyrazol-1-yl)ethyl]piperazine

Standard CAS: 1248142-10-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1248142-10-0
Multi CAS
No
Molecular Formula
C9H15N5O2
Molecular Weight
225.250000
Exact Mass
225.122575
SMILES
C1CN(CCN1)CCN2C=C(C=N2)[N+](=O)[O-]
InChI
InChI=1S/C9H15N5O2/c15-14(16)9-7-11-13(8-9)6-5-12-3-1-10-2-4-12/h7-8,10H,1-6H2
InChIKey
ISWRGXGTRMZTJK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
58.19
TPSA
76.23

LogP / Solubility

WLOGP
-0.3
MLOGP
-0.26
XLogP3
-0.6
Consensus LogP
-0.39
Log S (ESOL)
-1.01
Class (ESOL)
Soluble
Log S (Ali)
-1.19
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
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)
-4.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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