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CAS 1029106-93-1 5-(3-MORPHOLIN-4-YL-PHENYL)-2H-PYRAZOL-3-YLAMINE molecular structure lightbox
CAS RN: 1029106-93-1

5-(3-MORPHOLIN-4-YL-PHENYL)-2H-PYRAZOL-3-YLAMINE

  • Product code: SSC-004249
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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: 0.25g
  • 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 1029106-93-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1029106-93-1 / 5-(3-morpholin-4-ylphenyl)-1H-pyrazol-3-amine

5-(3-Morpholin-4-yl-phenyl)-2H-pyrazol-3-ylamine | MFCD07787040 | 3-Amino-5-(3-morpholinophenyl)pyrazole

Standard CAS: 1029106-93-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1029106-93-1
Multi CAS
Yes
Molecular Formula
C13H16N4O
Molecular Weight
244.290000
Exact Mass
244.132411
SMILES
C1COCCN1C2=CC=CC(=C2)C3=CC(=NN3)N
InChI
InChI=1S/C13H16N4O/c14-13-9-12(15-16-13)10-2-1-3-11(8-10)17-4-6-18-7-5-17/h1-3,8-9H,4-7H2,(H3,14,15,16)
InChIKey
NIJLJDGBYGBRBA-UHFFFAOYSA-N
Synonyms
5-(3-Morpholin-4-yl-phenyl)-2H-pyrazol-3-ylamine MFCD07787040 3-Amino-5-(3-morpholinophenyl)pyrazole 3-(3-Morpholinophenyl)-1H-pyrazol-5-amine 5-(3-morpholin-4-ylphenyl)-1H-pyrazol-3-amine

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
71.47
TPSA
67.17

LogP / Solubility

WLOGP
1.5
MLOGP
1.32
XLogP3
1.3
Consensus LogP
1.37
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-3.15

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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