[email protected]
CAS 1361114-72-8 3-Pyrrolidin-2-yl-1H-pyrazole dihydrochloride molecular structure lightbox
CAS RN: 1361114-72-8

3-Pyrrolidin-2-yl-1H-pyrazole dihydrochloride

  • Product code: SSC-044983
GET A QUOTE
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, 1g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1361114-72-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

1361114-72-8 / 5-pyrrolidin-2-yl-1H-pyrazole;dihydrochloride

Standard CAS: 1361114-72-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1361114-72-8
Multi CAS
No
Molecular Formula
C7H13Cl2N3
Molecular Weight
210.100000
Exact Mass
209.048653
SMILES
C1CC(NC1)C2=CC=NN2.Cl.Cl
InChI
InChI=1S/C7H11N3.2ClH/c1-2-6(8-4-1)7-3-5-9-10-7;;/h3,5-6,8H,1-2,4H2,(H,9,10);2*1H
InChIKey
XWROSQRQLJYJCY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.06
TPSA
40.71

LogP / Solubility

WLOGP
1.68
MLOGP
1.48
XLogP3
1.68
Consensus LogP
1.61
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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)
-2.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us