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CAS 1025447-48-6 3-(2,4-DICHLOROPHENYL)-1H-PYRAZOL-5-YLAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1025447-48-6

3-(2,4-DICHLOROPHENYL)-1H-PYRAZOL-5-YLAMINE HYDROCHLORIDE

  • Product code: SSC-003789
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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: 5g
  • 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 1025447-48-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1025447-48-6 / 5-(2,4-dichlorophenyl)-1H-pyrazol-3-amine;hydrochloride

5-(2,4-dichloro-phenyl)-2H-pyrazol-3-ylaminehydrochloride | 5-(2,4-DICHLORO-PHENYL)-2H-PYRAZOL-3-YLAMINE HYDROCHLORIDE | MFCD06653176

Standard CAS: 1025447-48-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1025447-48-6
Multi CAS
No
Molecular Formula
C9H8Cl3N3
Molecular Weight
264.500000
Exact Mass
262.978380
SMILES
C1=CC(=C(C=C1Cl)Cl)C2=CC(=NN2)N.Cl
InChI
InChI=1S/C9H7Cl2N3.ClH/c10-5-1-2-6(7(11)3-5)8-4-9(12)14-13-8;/h1-4H,(H3,12,13,14);1H
InChIKey
MQMCCXUXDUXKLK-UHFFFAOYSA-N
Synonyms
5-(2,4-dichloro-phenyl)-2H-pyrazol-3-ylaminehydrochloride 5-(2,4-DICHLORO-PHENYL)-2H-PYRAZOL-3-YLAMINE HYDROCHLORIDE MFCD06653176 3-Amino-5-(2,4-dichlorophenyl)pyrazole Hydrochloride 5-(2,4-dichlorophenyl)-1H-pyrazol-3-amine;hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
65.7
TPSA
54.7

LogP / Solubility

WLOGP
3.39
MLOGP
2.99
XLogP3
3.39
Consensus LogP
3.26
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.93

Drug-likeness / Medicinal Chemistry

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

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