CAS 1131604-90-4 7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile molecular structure

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CAS RN: 1131604-90-4

7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

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Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20251026	100mg / 250mg / 1g	Confirm by inquiry	Shanghai	Inquiry

Product code: starshine_CAS1131604-90-4
Purity/Analytical Methods: >99.0%

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1131604-90-4 / 7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile | 7-Chloro-5-trifluoromethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile | AKOS015853189

Standard CAS: 1131604-90-4 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

1131604-90-4

Multi CAS

Molecular Formula

C8H2ClF3N4

Molecular Weight

246.570000

Exact Mass

245.992008

SMILES

C1=C(N2C(=C(C=N2)C#N)N=C1C(F)(F)F)Cl

InChI

InChI=1S/C8H2ClF3N4/c9-6-1-5(8(10,11)12)15-7-4(2-13)3-14-16(6)7/h1,3H

InChIKey

ZUXKROJKVNIMEB-UHFFFAOYSA-N

Synonyms

7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile 7-Chloro-5-trifluoromethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile AKOS015853189 DB-060367 H53124

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.12

H-bond acceptors

Molar refractivity

47.71

TPSA

53.98

LogP / Solubility

WLOGP

2.27

MLOGP

2.01

XLogP3

1.9

Consensus LogP

2.06

Log S (ESOL)

-3.22

Class (ESOL)

Poorly soluble

Log S (Ali)

-3.22

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-3.15

Class (SILICOS-IT)

Poorly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.61

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Product Availability

1131604-90-4 / 7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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