CAS RN: 1038392-15-2
(1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl)MethanaMine
- Product code: SSC-005456
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: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1038392-15-2 / [1-(oxan-2-yl)pyrazol-4-yl]methanamine
(1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl)methanamine | MFCD26127461 | [1-(oxan-2-yl)pyrazol-4-yl]methanamine
Basic Information
CAS
1038392-15-2
Multi CAS
No
Molecular Formula
C9H15N3O
Molecular Weight
181.230000
Exact Mass
181.121512
SMILES
C1CCOC(C1)N2C=C(C=N2)CN
InChI
InChI=1S/C9H15N3O/c10-5-8-6-11-12(7-8)9-3-1-2-4-13-9/h6-7,9H,1-5,10H2
InChIKey
AMLIQJDXZAPTJT-UHFFFAOYSA-N
Synonyms
(1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl)methanamine
MFCD26127461
[1-(oxan-2-yl)pyrazol-4-yl]methanamine
1-[1-(Oxan-2-yl)-1H-pyrazol-4-yl]methanamine
SCHEMBL13035401
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.96
TPSA
53.07
LogP / Solubility
WLOGP
1.04
MLOGP
0.91
XLogP3
-0.1
Consensus LogP
0.62
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
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)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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