CAS 10199-67-4 1-BENZYL-1H-PYRAZOLE molecular structure

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CAS RN: 10199-67-4

1-BENZYL-1H-PYRAZOLE

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1 package records0 with current stock1 grade group

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Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20260605	100mg / 250mg / 1g	Out of stock	8-10 business days	Inquiry

Product code: SSC-003148

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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

Pack sizes on record: 1g
Available purity: ≥95%
Inventory rows with stock: 0
Bulk packaging: confirmed by inquiry

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Reference Pack Sizes

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Recorded sizes, purity and stock details for CAS 10199-67-4
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥95%	0 Out of Stock	Shanghai	Inquiry

10199-67-4 / 1-benzylpyrazole

1-benzyl-1H-pyrazole | DTXSID70393512 | RefChem:1054954

Standard CAS: 10199-67-4 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

10199-67-4

Multi CAS

Molecular Formula

C10H10N2

Molecular Weight

158.200000

Exact Mass

158.084398

SMILES

C1=CC=C(C=C1)CN2C=CC=N2

InChI

InChI=1S/C10H10N2/c1-2-5-10(6-3-1)9-12-8-4-7-11-12/h1-8H,9H2

InChIKey

AKQAJYLKBCWJBV-UHFFFAOYSA-N

Synonyms

1-benzyl-1H-pyrazole DTXSID70393512 RefChem:1054954 DTXCID20344372 139-578-5

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.1

Rotatable bonds

H-bond acceptors

Molar refractivity

47.77

TPSA

17.82

LogP / Solubility

WLOGP

1.93

MLOGP

1.69

XLogP3

1.8

Consensus LogP

1.81

Log S (ESOL)

-2.58

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.25

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-2.53

Class (SILICOS-IT)

Moderately soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.31

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

Safety & Transport

Pictogram(s)

Irritant

Signal

Warning

GHS Hazard Statements

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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