![CAS 1092443-98-5 benzyl-(5-chloro-3-iso-propylpyrazolo[1,5-a]pyrimidin-7-yl)-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1092443-98-5.gif)
CAS RN: 1092443-98-5
benzyl-(5-chloro-3-iso-propylpyrazolo[1,5-a]pyrimidin-7-yl)-amine
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.20250614 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1092443-98-5
- Purity/Analytical Methods: >99.0%
1092443-98-5 / N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
n-benzyl-5-chloro-3-isopropylpyrazolo[1,5-a]pyrimidin-7-amine | Pyrazolo[1,5-a]pyrimidin-7-amine, 5-chloro-3-(1-methylethyl)-N-(phenylmethyl)- | N-benzyl-5-chloro-3-isopropyl-pyrazolo[1,5-a]pyrimidin-7-amine
Basic Information
CAS
1092443-98-5
Multi CAS
No
Molecular Formula
C16H17ClN4
Molecular Weight
300.780000
Exact Mass
300.114174
SMILES
CC(C)C1=C2N=C(C=C(N2N=C1)NCC3=CC=CC=C3)Cl
InChI
InChI=1S/C16H17ClN4/c1-11(2)13-10-19-21-15(8-14(17)20-16(13)21)18-9-12-6-4-3-5-7-12/h3-8,10-11,18H,9H2,1-2H3
InChIKey
DPLYAMCNFUJBLH-UHFFFAOYSA-N
Synonyms
n-benzyl-5-chloro-3-isopropylpyrazolo[1,5-a]pyrimidin-7-amine
Pyrazolo[1,5-a]pyrimidin-7-amine, 5-chloro-3-(1-methylethyl)-N-(phenylmethyl)-
N-benzyl-5-chloro-3-isopropyl-pyrazolo[1,5-a]pyrimidin-7-amine
N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
N-benzyl-5-chloro-3-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
85.85
TPSA
42.22
LogP / Solubility
WLOGP
4.12
MLOGP
3.64
XLogP3
4.2
Consensus LogP
3.99
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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