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CAS 1006481-77-1 4-chloro-1,3-dimethyl-1H-pyrazol-5-amine molecular structure lightbox
CAS RN: 1006481-77-1

4-chloro-1,3-dimethyl-1H-pyrazol-5-amine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251026 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-001308
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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 1006481-77-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1006481-77-1 / 4-chloro-1,3-dimethylpyrazol-5-amine

4-CHLORO-1,3-DIMETHYL-1H-PYRAZOL-5-AMINE | MFCD06805201 | 4-chloro-2,5-dimethylpyrazol-3-amine

Standard CAS: 1006481-77-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1006481-77-1
Multi CAS
No
Molecular Formula
C5H8ClN3
Molecular Weight
145.590000
Exact Mass
145.040675
SMILES
CC1=NN(C(=C1Cl)N)C
InChI
InChI=1S/C5H8ClN3/c1-3-4(6)5(7)9(2)8-3/h7H2,1-2H3
InChIKey
VXFACUSPNKLOKG-UHFFFAOYSA-N
Synonyms
4-CHLORO-1,3-DIMETHYL-1H-PYRAZOL-5-AMINE MFCD06805201 4-chloro-2,5-dimethylpyrazol-3-amine 4-chloro-2,5-dimethyl-pyrazol-3-amine 4-chloro-1,3-dimethylpyrazole-5-ylamine

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.37
TPSA
43.84

LogP / Solubility

WLOGP
0.96
MLOGP
0.84
XLogP3
0.9
Consensus LogP
0.9
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
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)
-2.92

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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