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CAS 187795-44-4 3-cyclobutyl-1-phenyl-1H-pyrazol-5-amine molecular structure lightbox
CAS RN: 187795-44-4

3-cyclobutyl-1-phenyl-1H-pyrazol-5-amine

  • Product code: SSC-087291
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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: ≥95%
  • 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 187795-44-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

187795-44-4 / 3-cyclobutyl-1-phenylpyrazol-5-amine

Standard CAS: 187795-44-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
187795-44-4
Multi CAS
No
Molecular Formula
C13H15N3
Molecular Weight
213.280000
Exact Mass
213.126597
SMILES
C1CC(C1)C2=NN(C(=C2)N)C3=CC=CC=C3
InChI
InChI=1S/C13H15N3/c14-13-9-12(10-5-4-6-10)15-16(13)11-7-2-1-3-8-11/h1-3,7-10H,4-6,14H2
InChIKey
FFTUPFXYVRUGKW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.57
TPSA
43.84

LogP / Solubility

WLOGP
2.72
MLOGP
2.4
XLogP3
2.7
Consensus LogP
2.61
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09

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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