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CAS 1151814-36-6 1-Cyclopropyl-1H-pyrazole molecular structure lightbox
CAS RN: 1151814-36-6

1-Cyclopropyl-1H-pyrazole

  • Product code: SSC-014867
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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, 1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • 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 1151814-36-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 5 In Stock Hong Kong Inquiry
0.25g ≥97% 5 In Stock Beijing Inquiry
1g ≥97% 5 In Stock Shanghai Inquiry
5g ≥97% 1 In Stock Beijing Inquiry

1151814-36-6 / 1-cyclopropylpyrazole

1-Cyclopropyl-1H-pyrazole | 1-cyclopropylpyrazole | 1H-Pyrazole, 1-cyclopropyl-

Standard CAS: 1151814-36-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1151814-36-6
Multi CAS
No
Molecular Formula
C6H8N2
Molecular Weight
108.140000
Exact Mass
108.068748
SMILES
C1CC1N2C=CC=N2
InChI
InChI=1S/C6H8N2/c1-4-7-8(5-1)6-2-3-6/h1,4-6H,2-3H2
InChIKey
YWLZMOUAZWHRFP-UHFFFAOYSA-N
Synonyms
1-Cyclopropyl-1H-pyrazole 1-cyclopropylpyrazole 1H-Pyrazole, 1-cyclopropyl- MFCD22548191 1-(Cyclopropyl)1H-pyrazole

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
30.5
TPSA
17.82

LogP / Solubility

WLOGP
1.22
MLOGP
1.06
XLogP3
0.7
Consensus LogP
0.99
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
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)
-2.51

Drug-likeness / Medicinal Chemistry

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

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