CAS RN: 1071658-18-8
N,N-DiMethyl-2-(1H-pyrazol-1-yl)ethanaMine
- Product code: SSC-008623
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1071658-18-8 / N,N-dimethyl-2-pyrazol-1-ylethanamine
DTXSID70680237 | N,N-Dimethyl-2-(1H-pyrazol-1-yl)ethan-1-amine | RefChem:359212
Basic Information
CAS
1071658-18-8
Multi CAS
No
Molecular Formula
C7H13N3
Molecular Weight
139.200000
Exact Mass
139.110947
SMILES
CN(C)CCN1C=CC=N1
InChI
InChI=1S/C7H13N3/c1-9(2)6-7-10-5-3-4-8-10/h3-5H,6-7H2,1-2H3
InChIKey
GMVLAELEGIMFHS-UHFFFAOYSA-N
Synonyms
DTXSID70680237
N,N-Dimethyl-2-(1H-pyrazol-1-yl)ethan-1-amine
RefChem:359212
DTXCID40630986
N,N-Dimethyl-2-(1H-pyrazol-1-yl)ethanamine
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
40.78
TPSA
21.06
LogP / Solubility
WLOGP
0.44
MLOGP
0.38
XLogP3
-0.4
Consensus LogP
0.14
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
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)
-3.25
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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