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CAS 1004193-93-4 1-(1-ETHYL-1H-PYRAZOL-3-YL)-ETHANONE molecular structure lightbox
CAS RN: 1004193-93-4

1-(1-ETHYL-1H-PYRAZOL-3-YL)-ETHANONE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250530 50mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1004193-93-4
  • Purity/Analytical Methods: >99.0%
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1004193-93-4 / 1-(1-ethylpyrazol-3-yl)ethanone

1-(1-ethyl-1H-pyrazol-3-yl)ethanone | RefChem:222476 | 1-(1-ethyl-1H-pyrazol-3-yl)ethan-1-one

Standard CAS: 1004193-93-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1004193-93-4
Multi CAS
No
Molecular Formula
C7H10N2O
Molecular Weight
138.170000
Exact Mass
138.079313
SMILES
CCN1C=CC(=N1)C(=O)C
InChI
InChI=1S/C7H10N2O/c1-3-9-5-4-7(8-9)6(2)10/h4-5H,3H2,1-2H3
InChIKey
UZGPIUGGVSKCAM-UHFFFAOYSA-N
Synonyms
1-(1-ethyl-1H-pyrazol-3-yl)ethanone RefChem:222476 1-(1-ethyl-1H-pyrazol-3-yl)ethan-1-one 1-(1-ethylpyrazol-3-yl)ethanone 1-(1-Ethyl-1H-pyrazol-3-yl)-ethanone

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
37.91
TPSA
34.89

LogP / Solubility

WLOGP
1.11
MLOGP
0.97
XLogP3
0.6
Consensus LogP
0.89
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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)
-2.78

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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