CAS RN: 10199-63-0
1-(3,5-DiMethyl-pyrazol-1-yl)-ethanone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250120 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS10199-63-0
- Purity/Analytical Methods: >99.0%
10199-63-0 / 1-(3,5-dimethylpyrazol-1-yl)ethanone
1-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-one | DTXSID30363337 | RefChem:224087
Basic Information
CAS
10199-63-0
Multi CAS
No
Molecular Formula
C7H10N2O
Molecular Weight
138.170000
Exact Mass
138.079313
SMILES
CC1=CC(=NN1C(=O)C)C
InChI
InChI=1S/C7H10N2O/c1-5-4-6(2)9(8-5)7(3)10/h4H,1-3H3
InChIKey
XDYMIRMFIZXRQH-UHFFFAOYSA-N
Synonyms
1-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-one
DTXSID30363337
RefChem:224087
DTXCID30314384
1-(3,5-dimethyl-1H-pyrazol-1-yl)ethanone
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.43
H-bond acceptors
3
Molar refractivity
38
TPSA
34.89
LogP / Solubility
WLOGP
1.16
MLOGP
1.01
XLogP3
0.9
Consensus LogP
1.02
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
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)
-2.74
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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- Product Code: starshine_CAS10199-91-4
- Purity/Analytical method: >99.0%
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