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CAS 1006476-27-2 N-(3-methoxybenzyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]amine molecular structure lightbox
CAS RN: 1006476-27-2

N-(3-methoxybenzyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]amine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250121 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-001305
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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: ＞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 1006476-27-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry

1006476-27-2 / 1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine

N-(3-Methoxybenzyl)-1-(1-methyl-1H-pyrazol-4-yl)methanamine | N-(3-METHOXYBENZYL)-N-[(1-METHYL-1H-PYRAZOL-4-YL)METHYL]AMINE | MFCD04968192

Standard CAS: 1006476-27-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1006476-27-2
Multi CAS
No
Molecular Formula
C13H17N3O
Molecular Weight
231.290000
Exact Mass
231.137162
SMILES
CN1C=C(C=N1)CNCC2=CC(=CC=C2)OC
InChI
InChI=1S/C13H17N3O/c1-16-10-12(9-15-16)8-14-7-11-4-3-5-13(6-11)17-2/h3-6,9-10,14H,7-8H2,1-2H3
InChIKey
IDLLZCSDDQSOTM-UHFFFAOYSA-N
Synonyms
N-(3-Methoxybenzyl)-1-(1-methyl-1H-pyrazol-4-yl)methanamine N-(3-METHOXYBENZYL)-N-[(1-METHYL-1H-PYRAZOL-4-YL)METHYL]AMINE MFCD04968192 1-(3-methoxyphenyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]methanamine 1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
66.75
TPSA
39.08

LogP / Solubility

WLOGP
1.72
MLOGP
1.52
XLogP3
1.1
Consensus LogP
1.45
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91

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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