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 |
1185293-13-3 / 1-ethyl-3-methylpyrazol-4-amine;dihydrochloride
1-ethyl-3-methyl-1H-pyrazol-4-amine | MFCD03422572 | 1-ethyl-3-methylpyrazol-4-amine
Basic Information
CAS
1185293-13-3
Multi CAS
Yes
Molecular Formula
C6H13Cl2N3
Molecular Weight
198.090000
Exact Mass
197.048653
SMILES
CCN1C=C(C(=N1)C)N.Cl.Cl
InChI
InChI=1S/C6H11N3.2ClH/c1-3-9-4-6(7)5(2)8-9;;/h4H,3,7H2,1-2H3;2*1H
InChIKey
BUTOBTHSCSCHMK-UHFFFAOYSA-N
Synonyms
1-ethyl-3-methyl-1H-pyrazol-4-amine
MFCD03422572
1-ethyl-3-methylpyrazol-4-amine
4-AMINO-1-ETHYL-3-METHYL-1H-PYRAZOLE
4-amino-1-ethyl-3-methylpyrazole
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.55
TPSA
43.84
LogP / Solubility
WLOGP
1.64
MLOGP
1.44
XLogP3
1.64
Consensus LogP
1.57
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.77
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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