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CAS 71033-38-0 1-(N,N-DiethylaMinoethyl)pyrazole molecular structure lightbox
CAS RN: 71033-38-0

1-(N,N-DiethylaMinoethyl)pyrazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251223 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS71033-38-0
  • Purity/Analytical Methods: >99.0%
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71033-38-0 / N,N-diethyl-2-pyrazol-1-ylethanamine

Standard CAS: 71033-38-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
71033-38-0
Multi CAS
No
Molecular Formula
C9H17N3
Molecular Weight
167.250000
Exact Mass
167.142248
InChI
InChI=1S/C9H17N3/c1-3-11(4-2)8-9-12-7-5-6-10-12/h5-7H,3-4,8-9H2,1-2H3
InChIKey
JPJBURDLVZPQQP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
50.02
TPSA
21.06

LogP / Solubility

WLOGP
1.22
MLOGP
1.07
XLogP3
0.9
Consensus LogP
1.06
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.36
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)
-2.87

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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