CAS RN: 1006334-16-2
1H-Pyrazol-4-amine, 1-(methoxymethyl)-3,5-dimethyl-
- Product code: SSC-001246
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1006334-16-2 / 1-(methoxymethyl)-3,5-dimethylpyrazol-4-amine
1-(methoxymethyl)-3,5-dimethyl-1H-pyrazol-4-amine | MFCD04970045 | 1-(methoxymethyl)-3,5-dimethylpyrazol-4-amine
Basic Information
CAS
1006334-16-2
Multi CAS
No
Molecular Formula
C7H13N3O
Molecular Weight
155.200000
Exact Mass
155.105862
SMILES
CC1=C(C(=NN1COC)C)N
InChI
InChI=1S/C7H13N3O/c1-5-7(8)6(2)10(9-5)4-11-3/h4,8H2,1-3H3
InChIKey
NCWYBHMMUJWITM-UHFFFAOYSA-N
Synonyms
1-(methoxymethyl)-3,5-dimethyl-1H-pyrazol-4-amine
MFCD04970045
1-(methoxymethyl)-3,5-dimethylpyrazol-4-amine
1-(methoxymethyl)-3,5-dimethylpyrazole-4-ylamine
GQB33416
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.12
TPSA
53.07
LogP / Solubility
WLOGP
0.69
MLOGP
0.6
XLogP3
0.2
Consensus LogP
0.5
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
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)
-3.18
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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