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CAS 1014632-04-2 Ethyl 1-(pyrimidin-4-yl)-1H-pyrazole-4-carboxylate molecular structure lightbox
CAS RN: 1014632-04-2

Ethyl 1-(pyrimidin-4-yl)-1H-pyrazole-4-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250115 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1014632-04-2
  • Purity/Analytical Methods: >99.0%
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1014632-04-2 / ethyl 1-pyrimidin-4-ylpyrazole-4-carboxylate

Ethyl 1-(pyrimidin-4-yl)-1H-pyrazole-4-carboxylate | ethyl 1-pyrimidin-4-ylpyrazole-4-carboxylate | MFCD21602179

Standard CAS: 1014632-04-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1014632-04-2
Multi CAS
No
Molecular Formula
C10H10N4O2
Molecular Weight
218.210000
Exact Mass
218.080376
SMILES
CCOC(=O)C1=CN(N=C1)C2=NC=NC=C2
InChI
InChI=1S/C10H10N4O2/c1-2-16-10(15)8-5-13-14(6-8)9-3-4-11-7-12-9/h3-7H,2H2,1H3
InChIKey
UTDVIILZJWZOGC-UHFFFAOYSA-N
Synonyms
Ethyl 1-(pyrimidin-4-yl)-1H-pyrazole-4-carboxylate ethyl 1-pyrimidin-4-ylpyrazole-4-carboxylate MFCD21602179 SCHEMBL12571588 AKOS019061961

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
55.11
TPSA
69.9

LogP / Solubility

WLOGP
0.84
MLOGP
0.74
XLogP3
0.7
Consensus LogP
0.76
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately 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)
-3.46

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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