CAS RN: 1519243-10-7
1H-Pyrazole-3-carboxylic acid, 5-cyano-1-methyl-
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.20260621 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1519243-10-7
- Purity/Analytical Methods: >99.0%
1519243-10-7 / 5-cyano-1-methylpyrazole-3-carboxylic acid
Basic Information
CAS
1519243-10-7
Multi CAS
No
Molecular Formula
C6H5N3O2
Molecular Weight
151.120000
Exact Mass
151.038176
SMILES
CN1C(=CC(=N1)C(=O)O)C#N
InChI
InChI=1S/C6H5N3O2/c1-9-4(3-7)2-5(8-9)6(10)11/h2H,1H3,(H,10,11)
InChIKey
XMEAHHFAQDOUCD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
34.88
TPSA
78.91
LogP / Solubility
WLOGP
-0.01
MLOGP
-0.01
XLogP3
0.1
Consensus LogP
0.03
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-0.79
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.75
Class (SILICOS-IT)
Very 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)
-3.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
-
-
-
-
1-benzyl-6-fluoro-1H-benzo[d]imidazol-2(3H)-one
- CAS RN: 1519538-34-1
- Product Code: starshine_CAS1519538-34-1
- Purity/Analytical method: >99.0%
-
.gif)
.gif)
![CAS 1519538-34-1 1-benzyl-6-fluoro-1H-benzo[d]imidazol-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1519538-34-1(2).gif)
