CAS RN: 119760-62-2
5-METHYL-1H-PYRAZOLE HYDROCHLORIDE
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.20251020 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS119760-62-2
- Purity/Analytical Methods: >99.0%
119760-62-2 / 5-methyl-1H-pyrazole;hydrochloride
5-methyl-1H-pyrazole hydrochloride | 5-methyl-1H-pyrazole;hydrochloride | 5-Methyl-1h-pyrazole, HCl
Basic Information
CAS
119760-62-2
Multi CAS
No
Molecular Formula
C4H7ClN2
Molecular Weight
118.560000
Exact Mass
118.029776
SMILES
CC1=CC=NN1.Cl
InChI
InChI=1S/C4H6N2.ClH/c1-4-2-3-5-6-4;/h2-3H,1H3,(H,5,6);1H
InChIKey
WKFAAAYPBOLBKA-UHFFFAOYSA-N
Synonyms
5-methyl-1H-pyrazole hydrochloride
5-methyl-1H-pyrazole;hydrochloride
5-Methyl-1h-pyrazole, HCl
MFCD08277097
Pyrazole, 3-methyl-, hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
1
H-bond donors
1
Molar refractivity
30.57
TPSA
28.68
LogP / Solubility
WLOGP
1.14
MLOGP
0.99
XLogP3
1.14
Consensus LogP
1.09
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
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)
-2.63
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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