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CAS 111897-11-1 4-[3-(2-FURYL)-1H-PYRAZOL-5-YL]PIPERIDINE molecular structure lightbox
CAS RN: 111897-11-1

4-[3-(2-FURYL)-1H-PYRAZOL-5-YL]PIPERIDINE

  • Product code: SSC-012365
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 111897-11-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

111897-11-1 / 4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine

4-[3-(2-furyl)-1H-pyrazol-5-yl]piperidine | 4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine | 4-(5-(Furan-2-yl)-1H-pyrazol-3-yl)piperidine

Standard CAS: 111897-11-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
111897-11-1
Multi CAS
No
Molecular Formula
C12H15N3O
Molecular Weight
217.270000
Exact Mass
217.121512
SMILES
C1CNCCC1C2=CC(=NN2)C3=CC=CO3
InChI
InChI=1S/C12H15N3O/c1-2-12(16-7-1)11-8-10(14-15-11)9-3-5-13-6-4-9/h1-2,7-9,13H,3-6H2,(H,14,15)
InChIKey
QZJXKXUEPLFGHA-UHFFFAOYSA-N
Synonyms
4-[3-(2-furyl)-1H-pyrazol-5-yl]piperidine 4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine 4-(5-(Furan-2-yl)-1H-pyrazol-3-yl)piperidine MFCD00665128 2-(5-(4-piperidyl)pyrazol-3-yl)furan

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.13
TPSA
53.85

LogP / Solubility

WLOGP
2.14
MLOGP
1.88
XLogP3
1.1
Consensus LogP
1.71
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
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)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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