CAS RN: 1007488-29-0
(1-ethyl-1H-pyrazol-5-yl)Methanol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260202 | 1g / 5g / 10g | Confirm by inquiry | Shanghai | 3-5 business days | Inquiry |
- Product code: starshine_CAS1007488-29-0
- Purity/Analytical Methods: >99.0%
1007488-29-0 / (2-ethylpyrazol-3-yl)methanol
(1-ethyl-1H-pyrazol-5-yl)methanol | (2-ethylpyrazol-3-yl)methanol | MFCD08701089
Basic Information
CAS
1007488-29-0
Multi CAS
No
Molecular Formula
C6H10N2O
Molecular Weight
126.160000
Exact Mass
126.079313
SMILES
CCN1C(=CC=N1)CO
InChI
InChI=1S/C6H10N2O/c1-2-8-6(5-9)3-4-7-8/h3-4,9H,2,5H2,1H3
InChIKey
XGSHTTWILBTVCJ-UHFFFAOYSA-N
Synonyms
(1-ethyl-1H-pyrazol-5-yl)methanol
(2-ethylpyrazol-3-yl)methanol
MFCD08701089
(1-ethylpyrazol-5-yl)methan-1-ol
1H-pyrazole-5-methanol, 1-ethyl-
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
33.82
TPSA
38.05
LogP / Solubility
WLOGP
0.4
MLOGP
0.34
XLogP3
-0.3
Consensus LogP
0.15
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.05
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)
-3.21
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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