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CAS 1199773-61-9 (1-(Pyridin-2-yl)-1H-pyrazol-4-yl)Methanol molecular structure lightbox
CAS RN: 1199773-61-9

(1-(Pyridin-2-yl)-1H-pyrazol-4-yl)Methanol

  • Product code: SSC-020732
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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 1199773-61-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1199773-61-9 / (1-pyridin-2-ylpyrazol-4-yl)methanol

(1-(pyridin-2-yl)-1H-pyrazol-4-yl)methanol | (1-pyridin-2-ylpyrazol-4-yl)methanol | MFCD11840214

Standard CAS: 1199773-61-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1199773-61-9
Multi CAS
No
Molecular Formula
C9H9N3O
Molecular Weight
175.190000
Exact Mass
175.074562
SMILES
C1=CC=NC(=C1)N2C=C(C=N2)CO
InChI
InChI=1S/C9H9N3O/c13-7-8-5-11-12(6-8)9-3-1-2-4-10-9/h1-6,13H,7H2
InChIKey
SMQZMHVAZGFQKA-UHFFFAOYSA-N
Synonyms
(1-(pyridin-2-yl)-1H-pyrazol-4-yl)methanol (1-pyridin-2-ylpyrazol-4-yl)methanol MFCD11840214 [1-(2-Pyridyl)pyrazol-4-yl]methanol 1H-Pyrazole-4-methanol, 1-(2-pyridinyl)-

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
47.28
TPSA
50.94

LogP / Solubility

WLOGP
0.76
MLOGP
0.67
XLogP3
0.3
Consensus LogP
0.58
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-3.25

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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