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CAS 101080-17-5 1H-Pyrazole-4-carboxamide,5-amino-1,3-dimethyl-(9CI) molecular structure lightbox
CAS RN: 101080-17-5

1H-Pyrazole-4-carboxamide,5-amino-1,3-dimethyl-(9CI)

  • Product code: SSC-001928
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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 101080-17-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

101080-17-5 / 5-amino-1,3-dimethylpyrazole-4-carboxamide

5-amino-1,3-dimethyl-1H-pyrazole-4-carboxamide | 5-amino-1,3-dimethylpyrazole-4-carboxamide | 1H-Pyrazole-4-carboxamide, 5-amino-1,3-dimethyl-

Standard CAS: 101080-17-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
101080-17-5
Multi CAS
No
Molecular Formula
C6H10N4O
Molecular Weight
154.170000
Exact Mass
154.085461
SMILES
CC1=NN(C(=C1C(=O)N)N)C
InChI
InChI=1S/C6H10N4O/c1-3-4(6(8)11)5(7)10(2)9-3/h7H2,1-2H3,(H2,8,11)
InChIKey
CCXYHAGBWDDQON-UHFFFAOYSA-N
Synonyms
5-amino-1,3-dimethyl-1H-pyrazole-4-carboxamide 5-amino-1,3-dimethylpyrazole-4-carboxamide 1H-Pyrazole-4-carboxamide, 5-amino-1,3-dimethyl- MFCD11111852 1H-Pyrazole-4-carboxamide,5-amino-1,3-dimethyl-(9CI)

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
40.88
TPSA
86.93

LogP / Solubility

WLOGP
-0.59
MLOGP
-0.53
XLogP3
-0.3
Consensus LogP
-0.47
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.4
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.29
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.08

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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