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CAS 1152867-10-1 1-(4-methoxybenzyl)-1H-pyrazol-4-amine molecular structure lightbox
CAS RN: 1152867-10-1

1-(4-methoxybenzyl)-1H-pyrazol-4-amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260301 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1152867-10-1
  • Purity/Analytical Methods: >99.0%
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1152867-10-1 / 1-[(4-methoxyphenyl)methyl]pyrazol-4-amine

1-[(4-Methoxyphenyl)methyl]-1H-pyrazol-4-amine | 1-((4-methoxyphenyl)methyl)-1H-pyrazol-4-amine | RefChem:418693

Standard CAS: 1152867-10-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1152867-10-1
Multi CAS
No
Molecular Formula
C11H13N3O
Molecular Weight
203.240000
Exact Mass
203.105862
SMILES
COC1=CC=C(C=C1)CN2C=C(C=N2)N
InChI
InChI=1S/C11H13N3O/c1-15-11-4-2-9(3-5-11)7-14-8-10(12)6-13-14/h2-6,8H,7,12H2,1H3
InChIKey
FDECMPHXYDYHEZ-UHFFFAOYSA-N
Synonyms
1-[(4-Methoxyphenyl)methyl]-1H-pyrazol-4-amine 1-((4-methoxyphenyl)methyl)-1H-pyrazol-4-amine RefChem:418693 970-816-8 1-(4-methoxybenzyl)-1H-pyrazol-4-amine

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.74
TPSA
53.07

LogP / Solubility

WLOGP
1.52
MLOGP
1.34
XLogP3
1.1
Consensus LogP
1.32
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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