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CAS 1820651-25-9 N-(Azetidin-3-yl)-1-methyl-1H-pyrazol-4-amine dihydrochloride molecular structure lightbox
CAS RN: 1820651-25-9

N-(Azetidin-3-yl)-1-methyl-1H-pyrazol-4-amine dihydrochloride

  • Product code: SSC-082863
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1820651-25-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry

1820651-25-9 / N-(azetidin-3-yl)-1-methylpyrazol-4-amine;dihydrochloride

Standard CAS: 1820651-25-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1820651-25-9
Multi CAS
No
Molecular Formula
C7H14Cl2N4
Molecular Weight
225.120000
Exact Mass
224.059552
SMILES
CN1C=C(C=N1)NC2CNC2.Cl.Cl
InChI
InChI=1S/C7H12N4.2ClH/c1-11-5-7(4-9-11)10-6-2-8-3-6;;/h4-6,8,10H,2-3H2,1H3;2*1H
InChIKey
SLVUGOWZTZQQDO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
57.98
TPSA
41.88

LogP / Solubility

WLOGP
0.65
MLOGP
0.57
XLogP3
0.65
Consensus LogP
0.62
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-3.63

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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