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CAS 167408-80-2 3-Chloro-1-methyl-1H-pyrazol-5-amine molecular structure lightbox
CAS RN: 167408-80-2

3-Chloro-1-methyl-1H-pyrazol-5-amine

  • Product code: SSC-073027
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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 167408-80-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

167408-80-2 / 3-chloro-1-methylpyrazol-5-amine

Standard CAS: 167408-80-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
167408-80-2
Multi CAS
No
Molecular Formula
C4H6ClN3
Molecular Weight
131.560000
Exact Mass
131.025025
SMILES
CN1C(=CC(=N1)Cl)N
InChI
InChI=1S/C4H6ClN3/c1-8-4(6)2-3(5)7-8/h2H,6H2,1H3
InChIKey
NGBFVEOMCMLCJX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.63
TPSA
43.84

LogP / Solubility

WLOGP
0.66
MLOGP
0.57
XLogP3
0.8
Consensus LogP
0.68
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.06
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)
-3.06

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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