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CAS 21683-30-7 3,5-DIMETHYL-1-PHENYL-1H-PYRAZOL-4-AMINE molecular structure lightbox
CAS RN: 21683-30-7

3,5-DIMETHYL-1-PHENYL-1H-PYRAZOL-4-AMINE

  • Product code: SSC-104211
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 21683-30-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

21683-30-7 / 3,5-dimethyl-1-phenylpyrazol-4-amine

Standard CAS: 21683-30-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21683-30-7
Multi CAS
No
Molecular Formula
C11H13N3
Molecular Weight
187.240000
Exact Mass
187.110947
SMILES
CC1=C(C(=NN1C2=CC=CC=C2)C)N
InChI
InChI=1S/C11H13N3/c1-8-11(12)9(2)14(13-8)10-6-4-3-5-7-10/h3-7H,12H2,1-2H3
InChIKey
FDTJXJNAWWVIKC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.45
TPSA
43.84

LogP / Solubility

WLOGP
2.07
MLOGP
1.82
XLogP3
2.2
Consensus LogP
2.03
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39

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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