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CAS 1780811-54-2 1H-Pyrazole-4-carboxylic acid, 5-methyl-1-(4-piperidinyl)- molecular structure lightbox
CAS RN: 1780811-54-2

1H-Pyrazole-4-carboxylic acid, 5-methyl-1-(4-piperidinyl)-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260624 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1780811-54-2
  • Purity/Analytical Methods: >99.0%
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1780811-54-2 / 5-methyl-1-piperidin-4-ylpyrazole-4-carboxylic acid

Standard CAS: 1780811-54-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1780811-54-2
Multi CAS
No
Molecular Formula
C10H15N3O2
Molecular Weight
209.240000
Exact Mass
209.116427
SMILES
CC1=C(C=NN1C2CCNCC2)C(=O)O
InChI
InChI=1S/C10H15N3O2/c1-7-9(10(14)15)6-12-13(7)8-2-4-11-5-3-8/h6,8,11H,2-5H2,1H3,(H,14,15)
InChIKey
OYJCWVVVXANPLE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
55.06
TPSA
67.15

LogP / Solubility

WLOGP
0.81
MLOGP
0.72
XLogP3
-2.1
Consensus LogP
-0.19
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
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)
-3.42

Drug-likeness / Medicinal Chemistry

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

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