CAS RN: 1028362-85-7
3-Amino-5-methyl-1-(2-tetrahydropyranyl)-1H-pyrazole
- Product code: SSC-004183
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1028362-85-7 / 5-methyl-1-(oxan-2-yl)pyrazol-3-amine
5-methyl-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-3-amine | 3-Amino-5-methyl-1-(2-tetrahydropyranyl)-1H-pyrazole | MFCD20726589
Basic Information
CAS
1028362-85-7
Multi CAS
No
Molecular Formula
C9H15N3O
Molecular Weight
181.230000
Exact Mass
181.121512
SMILES
CC1=CC(=NN1C2CCCCO2)N
InChI
InChI=1S/C9H15N3O/c1-7-6-8(10)11-12(7)9-4-2-3-5-13-9/h6,9H,2-5H2,1H3,(H2,10,11)
InChIKey
XAKBBOYUHXDPQT-UHFFFAOYSA-N
Synonyms
5-methyl-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-3-amine
3-Amino-5-methyl-1-(2-tetrahydropyranyl)-1H-pyrazole
MFCD20726589
5-methyl-1-(oxan-2-yl)pyrazol-3-amine
5-methyl-1-(oxan-2-yl)-1H-pyrazol-3-amine
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.22
TPSA
53.07
LogP / Solubility
WLOGP
1.47
MLOGP
1.29
XLogP3
1
Consensus LogP
1.25
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
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)
-2.78
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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