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CAS 1183233-93-3 Tert-Butyl N-[(3-Methyl-1H-Pyrazol-4-Yl)Methyl]Carbamate molecular structure lightbox
CAS RN: 1183233-93-3

Tert-Butyl N-[(3-Methyl-1H-Pyrazol-4-Yl)Methyl]Carbamate

  • Product code: SSC-018105
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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: 0.25g
  • Available purity: ≥95%
  • 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 1183233-93-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1183233-93-3 / tert-butyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate

TERT-BUTYL N-[(3-METHYL-1H-PYRAZOL-4-YL)METHYL]CARBAMATE | tert-Butyl ((3-methyl-1H-pyrazol-4-yl)methyl)carbamate | MFCD12777461

Standard CAS: 1183233-93-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1183233-93-3
Multi CAS
No
Molecular Formula
C10H17N3O2
Molecular Weight
211.260000
Exact Mass
211.132077
SMILES
CC1=C(C=NN1)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C10H17N3O2/c1-7-8(6-12-13-7)5-11-9(14)15-10(2,3)4/h6H,5H2,1-4H3,(H,11,14)(H,12,13)
InChIKey
JEYRUMGJGKFQRG-UHFFFAOYSA-N
Synonyms
TERT-BUTYL N-[(3-METHYL-1H-PYRAZOL-4-YL)METHYL]CARBAMATE tert-Butyl ((3-methyl-1H-pyrazol-4-yl)methyl)carbamate MFCD12777461 tert-butyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate SCHEMBL21503265

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.4
TPSA
67.01

LogP / Solubility

WLOGP
1.74
MLOGP
1.54
XLogP3
1.1
Consensus LogP
1.46
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-2.77

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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