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CAS 1296308-45-6 1-(3-(dimethylamino)propyl)-1H-pyrazol-4-amine molecular structure lightbox
CAS RN: 1296308-45-6

1-(3-(dimethylamino)propyl)-1H-pyrazol-4-amine

  • Product code: SSC-036555
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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

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

Recorded sizes, purity and stock details for CAS 1296308-45-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1296308-45-6 / 1-[3-(dimethylamino)propyl]pyrazol-4-amine

Standard CAS: 1296308-45-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1296308-45-6
Multi CAS
No
Molecular Formula
C8H16N4
Molecular Weight
168.240000
Exact Mass
168.137497
SMILES
CN(C)CCCN1C=C(C=N1)N
InChI
InChI=1S/C8H16N4/c1-11(2)4-3-5-12-7-8(9)6-10-12/h6-7H,3-5,9H2,1-2H3
InChIKey
WQDVJBJATWTUDE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.81
TPSA
47.08

LogP / Solubility

WLOGP
0.42
MLOGP
0.36
XLogP3
-0.1
Consensus LogP
0.23
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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)
-3.45

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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