[email protected]
CAS 1006463-92-8 1-(2,4-DIMETHOXYBENZYL)-1H-PYRAZOL-5-AMINE molecular structure lightbox
CAS RN: 1006463-92-8

1-(2,4-DIMETHOXYBENZYL)-1H-PYRAZOL-5-AMINE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250821 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1006463-92-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1006463-92-8 / 2-[(2,4-dimethoxyphenyl)methyl]pyrazol-3-amine

1-[(2,4-Dimethoxyphenyl)methyl]-1H-pyrazol-5-amine | DTXSID20585364 | 1-((2,4-dimethoxyphenyl)methyl)-1H-pyrazol-5-amine

Standard CAS: 1006463-92-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1006463-92-8
Multi CAS
No
Molecular Formula
C12H15N3O2
Molecular Weight
233.270000
Exact Mass
233.116427
SMILES
COC1=CC(=C(C=C1)CN2C(=CC=N2)N)OC
InChI
InChI=1S/C12H15N3O2/c1-16-10-4-3-9(11(7-10)17-2)8-15-12(13)5-6-14-15/h3-7H,8,13H2,1-2H3
InChIKey
KMVDBKQZHBXLDI-UHFFFAOYSA-N
Synonyms
1-[(2,4-Dimethoxyphenyl)methyl]-1H-pyrazol-5-amine DTXSID20585364 1-((2,4-dimethoxyphenyl)methyl)-1H-pyrazol-5-amine RefChem:428875 DTXCID70536129

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
65.29
TPSA
62.3

LogP / Solubility

WLOGP
1.53
MLOGP
1.35
XLogP3
1.4
Consensus LogP
1.43
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.06

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us