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CAS 1229456-15-8 5-Amino-2-methyl-2H-pyrazole-3-carboxylic acid dimethylamide molecular structure lightbox
CAS RN: 1229456-15-8

5-Amino-2-methyl-2H-pyrazole-3-carboxylic acid dimethylamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250405 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1229456-15-8
  • Purity/Analytical Methods: >99.0%
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1229456-15-8 / 3-amino-N,N,1-trimethylpyrazole-5-carboxamide

Standard CAS: 1229456-15-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1229456-15-8
Multi CAS
No
Molecular Formula
C7H12N4O
Molecular Weight
168.200000
Exact Mass
168.101111
SMILES
CN1C(=CC(=N1)N)C(=O)N(C)C
InChI
InChI=1S/C7H12N4O/c1-10(2)7(12)5-4-6(8)9-11(5)3/h4H,1-3H3,(H2,8,9)
InChIKey
LFJXQHGJAOKBJZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.64
TPSA
64.15

LogP / Solubility

WLOGP
-0.3
MLOGP
-0.26
XLogP3
-0.3
Consensus LogP
-0.29
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.63
Class (SILICOS-IT)
Very 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)
-3.96

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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