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CAS 646506-40-3 1H-Pyrazol-3-amine,N,1,5-trimethyl-(9CI) molecular structure lightbox
CAS RN: 646506-40-3

1H-Pyrazol-3-amine,N,1,5-trimethyl-(9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250605 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS646506-40-3
  • Purity/Analytical Methods: >99.0%
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646506-40-3 / N,1,5-trimethylpyrazol-3-amine

Standard CAS: 646506-40-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
646506-40-3
Multi CAS
No
Molecular Formula
C6H11N3
Molecular Weight
125.170000
Exact Mass
125.095297
InChI
InChI=1S/C6H11N3/c1-5-4-6(7-2)8-9(5)3/h4H,1-3H3,(H,7,8)
InChIKey
AQUXBPZGVWSPHB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.49
TPSA
29.85

LogP / Solubility

WLOGP
0.77
MLOGP
0.67
XLogP3
1
Consensus LogP
0.81
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.23
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)
-2.94

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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