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CAS 118430-78-7 1-METHYL-3-(2-THIENYL)-1H-PYRAZOL-5-AMINE molecular structure lightbox
CAS RN: 118430-78-7

1-METHYL-3-(2-THIENYL)-1H-PYRAZOL-5-AMINE

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260427 100mg In stock Shanghai Inquiry
Batchno.20250426 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260427 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260603 5g Out of stock Inquiry
  • Product code: starshine_CAS118430-78-7
  • Purity/Analytical Methods: >99.0%
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118430-78-7 / 1-methyl-3-thiophen-2-ylpyrazol-5-amine

1-Methyl-3-(Thiophen-2-Yl)-1h-Pyrazol-5-Amine | DTXSID40370698 | RefChem:231740

Standard CAS: 118430-78-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
118430-78-7
Multi CAS
No
Molecular Formula
C8H9N3S
Molecular Weight
179.240000
Exact Mass
179.051718
SMILES
CN1C(=CC(=N1)C2=CC=CS2)N
InChI
InChI=1S/C8H9N3S/c1-11-8(9)5-6(10-11)7-3-2-4-12-7/h2-5H,9H2,1H3
InChIKey
NFTITKUYTQZKIZ-UHFFFAOYSA-N
Synonyms
1-Methyl-3-(Thiophen-2-Yl)-1h-Pyrazol-5-Amine DTXSID40370698 RefChem:231740 DTXCID50321732 1-Methyl-3-(2-Thienyl)-1H-Pyrazol-5-Amine

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.93
TPSA
43.84

LogP / Solubility

WLOGP
1.73
MLOGP
1.52
XLogP3
1.3
Consensus LogP
1.52
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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)
-2.58

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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