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CAS 1186609-07-3 5-(2,2-DIFLUOROCYCLOPROPYL)-1H-PYRAZOL-3-AMINE molecular structure lightbox
CAS RN: 1186609-07-3

5-(2,2-DIFLUOROCYCLOPROPYL)-1H-PYRAZOL-3-AMINE

  • Product code: SSC-018546
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1186609-07-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1186609-07-3 / 5-(2,2-difluorocyclopropyl)-1H-pyrazol-3-amine

5-(2,2-difluorocyclopropyl)-1H-pyrazol-3-amine | MFCD28362806 | 3-(2,2-difluorocyclopropyl)-1H-pyrazol-5-amine

Standard CAS: 1186609-07-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1186609-07-3
Multi CAS
No
Molecular Formula
C6H7F2N3
Molecular Weight
159.140000
Exact Mass
159.060804
SMILES
C1C(C1(F)F)C2=CC(=NN2)N
InChI
InChI=1S/C6H7F2N3/c7-6(8)2-3(6)4-1-5(9)11-10-4/h1,3H,2H2,(H3,9,10,11)
InChIKey
ZGHOZFSUHRIEBS-UHFFFAOYSA-N
Synonyms
5-(2,2-difluorocyclopropyl)-1H-pyrazol-3-amine MFCD28362806 3-(2,2-difluorocyclopropyl)-1H-pyrazol-5-amine SCHEMBL1593412 SCHEMBL14723312

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.31
TPSA
54.7

LogP / Solubility

WLOGP
1.11
MLOGP
0.98
XLogP3
0.8
Consensus LogP
0.96
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
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)
-2.9

Drug-likeness / Medicinal Chemistry

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

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