[email protected]
CAS 1339452-16-2 N-methoxy-N,1-dimethyl-1H-Pyrazole-5-carboxamide molecular structure lightbox
CAS RN: 1339452-16-2

N-methoxy-N,1-dimethyl-1H-Pyrazole-5-carboxamide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250913 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1339452-16-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1339452-16-2 / N-methoxy-N,2-dimethylpyrazole-3-carboxamide

Standard CAS: 1339452-16-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1339452-16-2
Multi CAS
No
Molecular Formula
C7H11N3O2
Molecular Weight
169.180000
Exact Mass
169.085127
SMILES
CN1C(=CC=N1)C(=O)N(C)OC
InChI
InChI=1S/C7H11N3O2/c1-9-6(4-5-8-9)7(11)10(2)12-3/h4-5H,1-3H3
InChIKey
MZOZKKGHPNKCAI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
42.31
TPSA
47.36

LogP / Solubility

WLOGP
0.05
MLOGP
0.04
XLogP3
0.1
Consensus LogP
0.06
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.04
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)
-3.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us