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CAS 1415099-67-0 1-(5-Chloro-4-nitro-1H-pyrazol-1-yl)-2-Methylpropan-2-ol molecular structure lightbox
CAS RN: 1415099-67-0

1-(5-Chloro-4-nitro-1H-pyrazol-1-yl)-2-Methylpropan-2-ol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260606 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-051814
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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: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1415099-67-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1415099-67-0 / 1-(5-chloro-4-nitropyrazol-1-yl)-2-methylpropan-2-ol

Standard CAS: 1415099-67-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1415099-67-0
Multi CAS
No
Molecular Formula
C7H10ClN3O3
Molecular Weight
219.620000
Exact Mass
219.041069
SMILES
CC(C)(CN1C(=C(C=N1)[N+](=O)[O-])Cl)O
InChI
InChI=1S/C7H10ClN3O3/c1-7(2,12)4-10-6(8)5(3-9-10)11(13)14/h3,12H,4H2,1-2H3
InChIKey
OETUVPICMZBUQE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
50.19
TPSA
81.19

LogP / Solubility

WLOGP
1.22
MLOGP
1.07
XLogP3
0.9
Consensus LogP
1.06
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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