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CAS 88054-14-2 5-Methyl-1H-pyrazole molecular structure lightbox
CAS RN: 88054-14-2

5-Methyl-1H-pyrazole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251117 5g / 10g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: LINM899741
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88054-14-2 / 5-methyl-1H-pyrazole

Standard CAS: 88054-14-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
88054-14-2
Multi CAS
Yes
Molecular Formula
C4H6N2
Molecular Weight
82.100000
Exact Mass
82.053098
InChI
InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)
InChIKey
XKVUYEYANWFIJX-UHFFFAOYSA-N

Physical Properties

Physical Description
Melting point = 36.5 deg C; [ChemIDplus] Colorless or yellow liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
1
H-bond donors
1
Molar refractivity
23.32
TPSA
28.68

LogP / Solubility

WLOGP
0.72
MLOGP
0.62
XLogP3
0.6
Consensus LogP
0.65
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.79
Class (SILICOS-IT)
Very 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)
-2.71

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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