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Compound EN300-41464

CAT: 0931-TPL0496-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TPL0496-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1187058-36-1
Bioactivity
Compound EN300-41464, with CAS No. 1187058-36-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound EN300-41464 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
Cl.COCc1n[nH]c(N)c1-c1ccc(Cl)cc1
Molecular Formula
C11H13Cl2N3O
Molecular Weight
274.146
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(4-chlorophenyl)-3-(methoxymethyl)-1H-pyrazol-5-amine hydrochloride
CAS Number1187058-36-1
PubChem CID43810771
IUPAC Name4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine;hydrochloride
Molecular FormulaC11H13Cl2N3O
Molecular Weight274.14
Topological Polar Surface Area63.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity221
SMILES
COCC1=C(C(=NN1)N)C2=CC=C(C=C2)Cl.Cl
InChI
InChI=1S/C11H12ClN3O.ClH/c1-16-6-9-10(11(13)15-14-9)7-2-4-8(12)5-3-7;/h2-5H,6H2,1H3,(H3,13,14,15);1H
InChIKey
FTHVKIBROOLHDV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-chlorophenyl)-3-(methoxymethyl)-1H-pyrazol-5-amine hydrochloride
CAS: 1187058-36-1
CID: 43810771
Formula: C11H13Cl2N3O
MW: 274.14
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.14
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass273.0435674
Monoisotopic Mass273.0435674
Topological Polar Surface Area63.9 Ų
Heavy Atom Count17
Formal Charge0
Complexity221
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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