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CAS 1157012-67-3 2-(Tetrahydro-pyran-4-yl)-2H-pyrazol-3-ylamine molecular structure lightbox
CAS RN: 1157012-67-3

2-(Tetrahydro-pyran-4-yl)-2H-pyrazol-3-ylamine

  • Product code: SSC-015485
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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 1157012-67-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1157012-67-3 / 2-(oxan-4-yl)pyrazol-3-amine

1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-5-amine | MFCD12087781 | 2-(oxan-4-yl)pyrazol-3-amine

Standard CAS: 1157012-67-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1157012-67-3
Multi CAS
No
Molecular Formula
C8H13N3O
Molecular Weight
167.210000
Exact Mass
167.105862
SMILES
C1COCCC1N2C(=CC=N2)N
InChI
InChI=1S/C8H13N3O/c9-8-1-4-10-11(8)7-2-5-12-6-3-7/h1,4,7H,2-3,5-6,9H2
InChIKey
IUFRCHDUNSOXBW-UHFFFAOYSA-N
Synonyms
1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-5-amine MFCD12087781 2-(oxan-4-yl)pyrazol-3-amine 1H-Pyrazol-5-amine, 1-(tetrahydro-2H-pyran-4-yl)- 1-(oxan-4-yl)-1H-pyrazol-5-amine

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.73
TPSA
53.07

LogP / Solubility

WLOGP
0.82
MLOGP
0.71
XLogP3
0.2
Consensus LogP
0.58
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
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)
-3.16

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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