CAS RN: 1006682-91-2
2-(3-CHLORO-BENZYL)-5-METHYL-2H-PYRAZOL-3-YLAMINE
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.20250720 | 100mg / 250mg / 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1006682-91-2
- Purity/Analytical Methods: >99.0%
1006682-91-2 / 2-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-amine
1-(3-chlorobenzyl)-3-methyl-1H-pyrazol-5-amine | MFCD08457372 | 2-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-amine
Basic Information
CAS
1006682-91-2
Multi CAS
No
Molecular Formula
C11H12ClN3
Molecular Weight
221.680000
Exact Mass
221.071975
SMILES
CC1=NN(C(=C1)N)CC2=CC(=CC=C2)Cl
InChI
InChI=1S/C11H12ClN3/c1-8-5-11(13)15(14-8)7-9-3-2-4-10(12)6-9/h2-6H,7,13H2,1H3
InChIKey
MHEPRRNMEIJDFT-UHFFFAOYSA-N
Synonyms
1-(3-chlorobenzyl)-3-methyl-1H-pyrazol-5-amine
MFCD08457372
2-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-amine
1-[(3-Chlorophenyl)methyl]-3-methyl-1H-pyrazol-5-amine
1-[(3-chlorophenyl)methyl]-3-methylpyrazole-5-ylamine
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.93
TPSA
43.84
LogP / Solubility
WLOGP
2.48
MLOGP
2.18
XLogP3
2.5
Consensus LogP
2.39
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
3,8,9,10-tetrahydroxy urolithin
- CAS RN: 1006683-97-1
- Product Code: starshine_CAS1006683-97-1
- Purity/Analytical method: >99.0%
-
ethyl 8-forMyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
- CAS RN: 1006686-08-3
- Product Code: starshine_CAS1006686-08-3
- Purity/Analytical method: >99.0%
-
-
(4R)-2-[2-[Bis[4-(trifluoromethyl)phenyl]phosphino]-5-(trifluoromethyl)phenyl]-4-tert-butyl-4,5-dihydrooxazole
- CAS RN: 1006708-91-3
- Product Code: SSC-001343
-
1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-[2-[[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethyl]amino]-2-oxoethyl]-
- CAS RN: 1006711-90-5
- Product Code: SSC-001344
-
![CAS 1006686-08-3 ethyl 8-forMyl-1,4-dioxaspiro[4.5]decane-8-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1006686-08-3.gif)
![CAS 1006708-91-3 (4R)-2-[2-[Bis[4-(trifluoromethyl)phenyl]phosphino]-5-(trifluoromethyl)phenyl]-4-tert-butyl-4,5-dihydrooxazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1006708-91-3.gif)
![CAS 1006711-90-5 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-[2-[[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethyl]amino]-2-oxoethyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1006711-90-5.gif)
