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: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1152866-75-5 / 1-butylpyrazol-4-amine
1-Butyl-1H-pyrazol-4-amine | 1-butylpyrazol-4-amine | MFCD11128187
Basic Information
CAS
1152866-75-5
Multi CAS
No
Molecular Formula
C7H13N3
Molecular Weight
139.200000
Exact Mass
139.110947
SMILES
CCCCN1C=C(C=N1)N
InChI
InChI=1S/C7H13N3/c1-2-3-4-10-6-7(8)5-9-10/h5-6H,2-4,8H2,1H3
InChIKey
JLIFLCXHPOQVLW-UHFFFAOYSA-N
Synonyms
1-Butyl-1H-pyrazol-4-amine
1-butylpyrazol-4-amine
MFCD11128187
4-Amino-1-butylpyrazole
SCHEMBL15650950
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.55
TPSA
43.84
LogP / Solubility
WLOGP
1.27
MLOGP
1.11
XLogP3
0.7
Consensus LogP
1.03
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-2.67
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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