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CAS 1073-20-7 1,3,4,5-Tetramethyl-1H-pyrazole molecular structure lightbox
CAS RN: 1073-20-7

1,3,4,5-Tetramethyl-1H-pyrazole

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251019 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1073-20-7
  • Purity/Analytical Methods: >99.0%
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1073-20-7 / 1,3,4,5-tetramethylpyrazole

1,3,4,5-Tetramethyl-1H-pyrazole | 1,3,4,5-tetramethylpyrazole | TETRAMETHYL-1H-PYRAZOLE

Standard CAS: 1073-20-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1073-20-7
Multi CAS
No
Molecular Formula
C7H12N2
Molecular Weight
124.180000
Exact Mass
124.100048
SMILES
CC1=C(N(N=C1C)C)C
InChI
InChI=1S/C7H12N2/c1-5-6(2)8-9(4)7(5)3/h1-4H3
InChIKey
DUAZFYUNWBILMU-UHFFFAOYSA-N
Synonyms
1,3,4,5-Tetramethyl-1H-pyrazole 1,3,4,5-tetramethylpyrazole TETRAMETHYL-1H-PYRAZOLE tetramethylpyrazole SCHEMBL77248

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.57
H-bond acceptors
2
Molar refractivity
37.42
TPSA
17.82

LogP / Solubility

WLOGP
1.35
MLOGP
1.17
XLogP3
1.4
Consensus LogP
1.31
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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)
-2.52

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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