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CAS 1007488-78-9 AKOS PAO-1071 molecular structure lightbox
CAS RN: 1007488-78-9

AKOS PAO-1071

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250811 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1007488-78-9
  • Purity/Analytical Methods: >99.0%
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1007488-78-9 / N-methyl-3-pyrazol-1-ylpropan-1-amine

N-Methyl-3-(1H-pyrazol-1-yl)propan-1-amine | 1H-Pyrazole-1-propanamine, N-methyl- | N-methyl-3-pyrazol-1-ylpropan-1-amine

Standard CAS: 1007488-78-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1007488-78-9
Multi CAS
No
Molecular Formula
C7H13N3
Molecular Weight
139.200000
Exact Mass
139.110947
SMILES
CNCCCN1C=CC=N1
InChI
InChI=1S/C7H13N3/c1-8-4-2-6-10-7-3-5-9-10/h3,5,7-8H,2,4,6H2,1H3
InChIKey
GIGRBVGROITPDQ-UHFFFAOYSA-N
Synonyms
N-Methyl-3-(1H-pyrazol-1-yl)propan-1-amine 1H-Pyrazole-1-propanamine, N-methyl- N-methyl-3-pyrazol-1-ylpropan-1-amine MFCD08701102 SCHEMBL2284058

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.77
TPSA
29.85

LogP / Solubility

WLOGP
0.49
MLOGP
0.43
XLogP3
0.1
Consensus LogP
0.34
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
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)
-3.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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