CAS RN: 1177351-89-1
4-(2-Pyrazol-1-yl-ethyl)-piperidine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250606 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1177351-89-1
- Purity/Analytical Methods: >99.0%
1177351-89-1 / 4-(2-pyrazol-1-ylethyl)piperidine
4-[2-(1H-pyrazol-1-yl)ethyl]piperidine | 4-(2-(1H-PYRAZOL-1-YL)ETHYL)PIPERIDINE | DTXSID20650905
Basic Information
CAS
1177351-89-1
Multi CAS
Yes
Molecular Formula
C10H17N3
Molecular Weight
179.260000
Exact Mass
179.142248
SMILES
C1CNCCC1CCN2C=CC=N2
InChI
InChI=1S/C10H17N3/c1-5-12-13(8-1)9-4-10-2-6-11-7-3-10/h1,5,8,10-11H,2-4,6-7,9H2
InChIKey
PMCPBDFLUJGCTN-UHFFFAOYSA-N
Synonyms
4-[2-(1H-pyrazol-1-yl)ethyl]piperidine
4-(2-(1H-PYRAZOL-1-YL)ETHYL)PIPERIDINE
DTXSID20650905
RefChem:286963
DTXCID80601655
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.7
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.44
TPSA
29.85
LogP / Solubility
WLOGP
1.27
MLOGP
1.12
XLogP3
0.8
Consensus LogP
1.06
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately 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)
-2.91
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
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