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CAS 1415484-51-3 3-((pyridin-3-yloxy)methyl)-1H-pyrazol-5-amine molecular structure lightbox
CAS RN: 1415484-51-3

3-((pyridin-3-yloxy)methyl)-1H-pyrazol-5-amine

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260322 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINH927225
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1415484-51-3 / 5-(pyridin-3-yloxymethyl)-1H-pyrazol-3-amine

Standard CAS: 1415484-51-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1415484-51-3
Multi CAS
No
Molecular Formula
C9H10N4O
Molecular Weight
190.200000
Exact Mass
190.085461
SMILES
C1=CC(=CN=C1)OCC2=CC(=NN2)N
InChI
InChI=1S/C9H10N4O/c10-9-4-7(12-13-9)6-14-8-2-1-3-11-5-8/h1-5H,6H2,(H3,10,12,13)
InChIKey
SOUKJBUBDAEZNK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
51.57
TPSA
76.82

LogP / Solubility

WLOGP
0.97
MLOGP
0.85
XLogP3
0.3
Consensus LogP
0.71
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
Class (SILICOS-IT)
Moderately 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)
-3.19

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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