[email protected]
CAS 317806-86-3 5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YLAMINE molecular structure lightbox
CAS RN: 317806-86-3

5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YLAMINE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260225 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS317806-86-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

317806-86-3 / 3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine

Standard CAS: 317806-86-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
317806-86-3
Multi CAS
Yes
Molecular Formula
C14H19N3
Molecular Weight
229.320000
Exact Mass
229.157898
InChI
InChI=1S/C14H19N3.ClH/c1-10-5-7-11(8-6-10)17-13(15)9-12(16-17)14(2,3)4;/h5-9H,15H2,1-4H3;1H
InChIKey
OKHVHZRMWCZFFO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.41
TPSA
43.84

LogP / Solubility

WLOGP
3.06
MLOGP
2.7
XLogP3
3.6
Consensus LogP
3.12
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-1.95

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us