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CAS 1004303-48-3 3-(AMinoMethyl)-5-(4-pyridyl)pyrazole molecular structure lightbox
CAS RN: 1004303-48-3

3-(AMinoMethyl)-5-(4-pyridyl)pyrazole

  • Product code: SSC-001009
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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 1004303-48-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry

1004303-48-3 / (3-pyridin-4-yl-1H-pyrazol-5-yl)methanamine

3-(Aminomethyl)-5-(4-pyridyl)pyrazole | (5-(Pyridin-4-yl)-1H-pyrazol-3-yl)methanamine | MFCD22205846

Standard CAS: 1004303-48-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1004303-48-3
Multi CAS
Yes
Molecular Formula
C9H10N4
Molecular Weight
174.200000
Exact Mass
174.090546
SMILES
C1=CN=CC=C1C2=NNC(=C2)CN
InChI
InChI=1S/C9H10N4/c10-6-8-5-9(13-12-8)7-1-3-11-4-2-7/h1-5H,6,10H2,(H,12,13)
InChIKey
RNRVXVQGZVKOAG-UHFFFAOYSA-N
Synonyms
3-(Aminomethyl)-5-(4-pyridyl)pyrazole (5-(Pyridin-4-yl)-1H-pyrazol-3-yl)methanamine MFCD22205846 (3-pyridin-4-yl-1H-pyrazol-5-yl)methanamine (3-(pyridin-4-yl)-1H-pyrazol-5-yl)methanamine

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
49.71
TPSA
67.59

LogP / Solubility

WLOGP
0.93
MLOGP
0.82
XLogP3
-0.3
Consensus LogP
0.48
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
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)
-3.12

Drug-likeness / Medicinal Chemistry

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

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