CAS RN: 1002651-65-1
1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine(SALTDATA: FREE)
- Product code: SSC-000698
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 1g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 0 Out of Stock | Shanghai | Inquiry |
| 10g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
1002651-65-1 / 1-(1-ethylpyrazol-3-yl)-N-methylmethanamine
1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine | MFCD03419813 | 1-(1-ethylpyrazol-3-yl)-N-methylmethanamine
Basic Information
CAS
1002651-65-1
Multi CAS
No
Molecular Formula
C7H13N3
Molecular Weight
139.200000
Exact Mass
139.110947
SMILES
CCN1C=CC(=N1)CNC
InChI
InChI=1S/C7H13N3/c1-3-10-5-4-7(9-10)6-8-2/h4-5,8H,3,6H2,1-2H3
InChIKey
BBWULNDJJUENCE-UHFFFAOYSA-N
Synonyms
1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine
MFCD03419813
1-(1-ethylpyrazol-3-yl)-N-methylmethanamine
1-(1-ethylpyrazol-3-yl)-N-methyl-methanamine
1-(1-ETHYL-3-PYRAZOLYL)-N-METHYLMETHANAMINE
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.66
TPSA
29.85
LogP / Solubility
WLOGP
0.62
MLOGP
0.54
XLogP3
-0.1
Consensus LogP
0.35
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
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)
-3.13
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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