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CAS 1152939-98-4 1-[2-(dimethylamino)ethyl]-1H-pyrazol-4-amine molecular structure lightbox
CAS RN: 1152939-98-4

1-[2-(dimethylamino)ethyl]-1H-pyrazol-4-amine

  • Product code: SSC-015039
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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 1152939-98-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1152939-98-4 / 1-[2-(dimethylamino)ethyl]pyrazol-4-amine

1-(2-(Dimethylamino)ethyl)-1H-pyrazol-4-amine | 1-[2-(dimethylamino)ethyl]-1H-pyrazol-4-amine | 1-[2-(dimethylamino)ethyl]pyrazol-4-amine

Standard CAS: 1152939-98-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1152939-98-4
Multi CAS
Yes
Molecular Formula
C7H14N4
Molecular Weight
154.210000
Exact Mass
154.121846
SMILES
CN(C)CCN1C=C(C=N1)N
InChI
InChI=1S/C7H14N4/c1-10(2)3-4-11-6-7(8)5-9-11/h5-6H,3-4,8H2,1-2H3
InChIKey
DDAAGLMJYOHBDU-UHFFFAOYSA-N
Synonyms
1-(2-(Dimethylamino)ethyl)-1H-pyrazol-4-amine 1-[2-(dimethylamino)ethyl]-1H-pyrazol-4-amine 1-[2-(dimethylamino)ethyl]pyrazol-4-amine 1H-Pyrazole-1-ethanamine, 4-amino-N,N-dimethyl- MFCD11128204

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.19
TPSA
47.08

LogP / Solubility

WLOGP
0.03
MLOGP
0.02
XLogP3
-0.5
Consensus LogP
-0.15
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.04
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)
-3.64

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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