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CAS 1240572-59-1 1-(1-phenylethyl)-1H-pyrazol-4-amine molecular structure lightbox
CAS RN: 1240572-59-1

1-(1-phenylethyl)-1H-pyrazol-4-amine

  • Product code: SSC-027805
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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 1240572-59-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1240572-59-1 / 1-(1-phenylethyl)pyrazol-4-amine

Standard CAS: 1240572-59-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1240572-59-1
Multi CAS
No
Molecular Formula
C11H13N3
Molecular Weight
187.240000
Exact Mass
187.110947
SMILES
CC(C1=CC=CC=C1)N2C=C(C=N2)N
InChI
InChI=1S/C11H13N3/c1-9(10-5-3-2-4-6-10)14-8-11(12)7-13-14/h2-9H,12H2,1H3
InChIKey
JFGCAKGDLZOKNA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.89
TPSA
43.84

LogP / Solubility

WLOGP
2.07
MLOGP
1.82
XLogP3
1.5
Consensus LogP
1.8
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
Class (SILICOS-IT)
Moderately 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)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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