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CAS 1204901-63-2 4-chloro-1-propyl-1H-pyrazole molecular structure lightbox
CAS RN: 1204901-63-2

4-chloro-1-propyl-1H-pyrazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251130 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1204901-63-2
  • Purity/Analytical Methods: >99.0%
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1204901-63-2 / 4-chloro-1-propylpyrazole

4-chloro-1-propyl-1H-pyrazole | 4-chloro-1-propylpyrazole | MFCD15976274

Standard CAS: 1204901-63-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1204901-63-2
Multi CAS
No
Molecular Formula
C6H9ClN2
Molecular Weight
144.600000
Exact Mass
144.045426
SMILES
CCCN1C=C(C=N1)Cl
InChI
InChI=1S/C6H9ClN2/c1-2-3-9-5-6(7)4-8-9/h4-5H,2-3H2,1H3
InChIKey
UTNHOVXFLARMHW-UHFFFAOYSA-N
Synonyms
4-chloro-1-propyl-1H-pyrazole 4-chloro-1-propylpyrazole MFCD15976274 4-chloro-1-propyl-pyrazole SCHEMBL6657978

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
37.53
TPSA
17.82

LogP / Solubility

WLOGP
1.95
MLOGP
1.71
XLogP3
1.7
Consensus LogP
1.79
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately 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)
-2.22

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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