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CAS 117717-10-9 5-ethoxy-1H-pyrazol-3-aMine molecular structure lightbox
CAS RN: 117717-10-9

5-ethoxy-1H-pyrazol-3-aMine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251229 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS117717-10-9
  • Purity/Analytical Methods: >99.0%
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117717-10-9 / 3-ethoxy-1H-pyrazol-5-amine

5-ethoxy-1H-pyrazol-3-amine | 3-ethoxy-1H-pyrazol-5-amine | MFCD16658941

Standard CAS: 117717-10-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
117717-10-9
Multi CAS
No
Molecular Formula
C5H9N3O
Molecular Weight
127.140000
Exact Mass
127.074562
SMILES
CCOC1=NNC(=C1)N
InChI
InChI=1S/C5H9N3O/c1-2-9-5-3-4(6)7-8-5/h3H,2H2,1H3,(H3,6,7,8)
InChIKey
APZOMEQIPIJVMW-UHFFFAOYSA-N
Synonyms
5-ethoxy-1H-pyrazol-3-amine 3-ethoxy-1H-pyrazol-5-amine MFCD16658941 5-ethoxypyrazol-3-amine 3-ethoxy-5-aminopyrazole

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
34.17
TPSA
63.93

LogP / Solubility

WLOGP
0.39
MLOGP
0.33
XLogP3
0.5
Consensus LogP
0.41
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.05
Class (SILICOS-IT)
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)
-3.22

Drug-likeness / Medicinal Chemistry

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

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